UCSF

ZINC42461809

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 13 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) -0.84 -3.44 -44.95 4 4 1 60 189.279 3
Hi High (pH 8-9.5) -0.84 -3.82 -3.87 3 4 0 59 188.271 3
Mid Mid (pH 6-8) -0.84 -1.27 -103.15 5 4 2 62 190.287 3

Activity (Go SEA)

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