UCSF

ZINC48481160

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2010 22 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) 0.15 4.12 -10.5 0 6 0 51 306.41 3
Mid Mid (pH 6-8) 0.15 6.12 -47.84 1 6 1 52 307.418 3

Activity (Go SEA)

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