UCSF

ZINC53156058

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 16 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) 1.90 4.89 -48.17 3 3 1 46 241.742 6
Mid Mid (pH 6-8) 1.90 3.53 -8.1 2 3 0 41 240.734 6

Activity (Go SEA)

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