UCSF

ZINC41725992

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 17 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) 0.23 6.23 -40.78 3 3 1 46 231.319 2
Hi High (pH 8-9.5) 0.23 5.91 -6.28 2 3 0 44 230.311 2

Activity (Go SEA)

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