UCSF

ZINC36669818

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 18 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) 0.30 -1.09 -7.78 3 5 0 68 252.314 5
Mid Mid (pH 6-8) 0.30 1.18 -40.82 4 5 1 69 253.322 5

Activity (Go SEA)

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