UCSF

ZINC04899607

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 14 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) 0.52 1.54 -47.7 4 5 1 83 203.262 7
Mid Mid (pH 6-8) 0.52 1.13 -10.68 3 5 0 81 202.254 7

Activity (Go SEA)

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