UCSF

ZINC40467340

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 16 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) 1.80 5.05 -41.56 3 3 1 48 227.372 3
Hi High (pH 8-9.5) 1.80 4.77 -5.78 2 3 0 46 226.364 3

Activity (Go SEA)

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