UCSF

ZINC19840374

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 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 4.07 -46.89 2 4 1 45 235.307 2
Mid Mid (pH 6-8) 0.67 1.81 -10.36 1 4 0 44 234.299 2

Activity (Go SEA)

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