UCSF

ZINC42458734

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 1.96 4.59 -119.63 4 3 2 41 232.412 9
Hi High (pH 8-9.5) 1.96 4.22 -28.29 3 3 1 40 231.404 9
Hi High (pH 8-9.5) 1.96 2.66 -43.23 3 3 1 40 231.404 9

Activity (Go SEA)

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