UCSF

ZINC34481226

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 15 Yes

Popular Name: (2S)-4-indol-1-ylbutane-1,2-diol (2S)-4-indol-1-ylbutane-1,2-diol

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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) 1.22 2.32 -8.18 2 3 0 45 205.257 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000055155A2 IBM Patent Data

Activity (Go SEA)

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