UCSF

ZINC43704850

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 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) 0.14 5.22 -48.85 1 5 0 63 217.265 5
Mid Mid (pH 6-8) 0.14 2.9 -48.05 0 5 -1 62 216.257 5

Activity (Go SEA)

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