UCSF

ZINC49432189

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 20 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) 1.71 3.63 -11.48 0 6 0 59 275.308 4
Lo Low (pH 4.5-6) 1.71 5.76 -46.92 1 6 1 60 276.316 4

Activity (Go SEA)

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