UCSF

ZINC19834166

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 9 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) 0.68 5.49 -46.55 1 2 1 28 127.211 4
Mid Mid (pH 6-8) 0.68 3.1 -5.22 0 2 0 27 126.203 4

Activity (Go SEA)

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