UCSF

ZINC42778586

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 0.17 1.81 -44.91 3 3 1 48 199.196 4
Hi High (pH 8-9.5) 0.17 1.5 -8.2 2 3 0 46 198.188 4

Activity (Go SEA)

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