UCSF

ZINC40489001

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 23 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) 0.77 1.8 -19.64 2 8 0 102 336.373 6
Hi High (pH 8-9.5) 0.59 0.68 -49.34 1 8 -1 109 335.365 6

Activity (Go SEA)

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