UCSF

ZINC00001234

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 9 Yes

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Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.54 2.04 -39.7 3 3 0 68 129.159 1

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.71e+02 g/l DrugBank-experimental
Mp [°C] 320 - 322 Acros Organics
MP 320 °C (dec.)(lit.) Indofine
MP 320° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Melting_Point ca 320? dec. Alfa-Aesar
Melting_Point ca 320° dec. Alfa-Aesar
H phrase H301: Toxic if swallowed Acros Organics
Warnings IRRITANT Matrix Scientific
Therapy NMDA receptor antagonist (gly) SMDC MicroSource
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
Hazard XN: Harmful Acros Organics

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.