UCSF

ZINC45083863

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2010 15 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) 3.35 8.55 -35.27 1 3 1 31 216.345 8
Mid Mid (pH 6-8) 3.35 7.29 -4.45 0 3 0 30 215.337 8

Activity (Go SEA)

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