UCSF

ZINC20464164

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 29 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) 3.66 7.63 -48.39 3 7 1 84 412.901 5
Mid Mid (pH 6-8) 3.66 5.12 -11.17 2 7 0 83 411.893 5

Activity (Go SEA)

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