UCSF

ZINC34660173

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 21 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) 1.79 6.63 -68.82 3 7 1 101 296.347 8
Hi High (pH 8-9.5) 1.79 5.18 -22.04 2 7 0 96 295.339 8

Activity (Go SEA)

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