UCSF

ZINC19439808

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 16 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) -0.62 1.2 -56.68 3 5 1 64 241.34 3
Lo Low (pH 4.5-6) -0.62 1.57 -93.68 4 5 2 65 242.348 3

Activity (Go SEA)

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