UCSF

ZINC13652412

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 22 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 7.19 -12.69 1 7 0 82 308.382 7
Mid Mid (pH 6-8) 1.85 7.68 -49.95 2 7 1 83 309.39 7

Activity (Go SEA)

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