UCSF

ZINC42455830

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 0.87 7.11 -46.31 1 6 0 86 236.275 4
Hi High (pH 8-9.5) 0.87 6.99 -53.51 0 6 -1 85 235.267 4

Activity (Go SEA)

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