UCSF

ZINC33839044

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2009 29 Yes

Popular Name: 398 398

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Download: MOL2 SDF SMILES Flexibase

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) 1.29 5.01 -51.97 2 6 1 56 399.511 4 ↓
Mid Mid (pH 6-8) 1.29 7.41 -86.04 3 6 2 57 400.519 4 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 2.749 Bitter DB

Activity (Go SEA)

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