UCSF

ZINC42896173

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 17 No

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) 0.82 3.22 -51.52 3 5 1 79 234.279 7
Mid Mid (pH 6-8) 0.82 1.87 -11.37 2 5 0 74 233.271 7

Activity (Go SEA)

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