UCSF

ZINC37759774

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2009 13 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) 0.55 3.73 -87.04 3 3 2 24 187.331 5
Mid Mid (pH 6-8) 0.55 1.36 -37.81 2 3 1 23 186.323 5

Activity (Go SEA)

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