UCSF

ZINC45652153

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 20 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) 1.47 5.31 -32.57 3 5 1 70 274.344 2
Hi High (pH 8-9.5) 1.47 2.96 -8.86 2 5 0 68 273.336 2

Activity (Go SEA)

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