UCSF

ZINC51043405

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2010 25 No

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) 2.18 7.61 -44.47 3 8 1 108 349.411 7
Hi High (pH 8-9.5) 2.00 6.96 -31.71 2 8 0 115 348.403 7

Activity (Go SEA)

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