UCSF

ZINC37869433

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 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) 1.13 1.74 -31.54 4 5 1 78 253.322 6
Mid Mid (pH 6-8) 1.13 0.9 -8.15 3 5 0 74 252.314 6

Activity (Go SEA)

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