UCSF

ZINC37872166

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 17 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) 0.67 2.04 -11.11 2 4 0 65 230.267 6
Mid Mid (pH 6-8) 0.67 3.48 -51.72 3 4 1 70 231.275 6

Activity (Go SEA)

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