UCSF

ZINC46052244

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2010 21 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) 0.97 8.91 -43.33 1 5 1 45 296.435 5
Hi High (pH 8-9.5) 0.97 7.15 -14.02 0 5 0 44 295.427 5

Activity (Go SEA)

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