UCSF

ZINC40905847

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 20 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) 3.06 2.21 -9.49 2 5 0 60 273.288 4
Hi High (pH 8-9.5) 3.06 2.96 -44.71 1 5 -1 63 272.28 4

Activity (Go SEA)

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