UCSF

ZINC19667062

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 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) 3.01 6.31 -7.07 1 3 0 45 244.338 5
Mid Mid (pH 6-8) 3.01 7.57 -53.31 2 3 1 50 245.346 5

Activity (Go SEA)

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