UCSF

ZINC36780222

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 15 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) -0.02 -0.37 -31.84 5 6 1 86 212.277 4
Mid Mid (pH 6-8) -0.02 -0.49 -11.41 4 6 0 85 211.269 4

Activity (Go SEA)

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