UCSF

ZINC29569131

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2009 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) 5.27 7.28 -10.3 2 4 0 62 340.597 2
Hi High (pH 8-9.5) 5.27 7.94 -46.63 1 4 -1 65 339.589 2

Activity (Go SEA)

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