UCSF

ZINC37022376

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 Yes

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) 1.85 3.95 -59.4 0 6 -1 71 280.3 6
Mid Mid (pH 6-8) 1.85 6.22 -60.11 1 6 0 72 281.308 6

Activity (Go SEA)

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