UCSF

ZINC42240483

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 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) 1.87 7.84 -44.77 1 3 1 37 231.319 4
Hi High (pH 8-9.5) 1.87 5.43 -6.5 0 3 0 36 230.311 4

Activity (Go SEA)

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