UCSF

ZINC37821945

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 14 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) 0.55 3.36 -46.41 3 3 1 48 213.326 3
Hi High (pH 8-9.5) 0.55 2.96 -8.54 2 3 0 46 212.318 3

Activity (Go SEA)

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