UCSF

ZINC20102755

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 23 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) 2.39 8.29 -43.4 1 4 1 28 336.887 3
Mid Mid (pH 6-8) 2.39 10.68 -96.93 2 4 2 29 337.895 3

Activity (Go SEA)

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