UCSF

ZINC39294998

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 12 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) 0.38 3.38 -14.5 3 3 0 55 177.232 0
Hi High (pH 8-9.5) 1.11 2.95 -44.6 2 3 -1 52 176.224 0

Activity (Go SEA)

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