UCSF

ZINC41733335

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 19 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) 0.79 6.56 -40.63 3 3 1 42 265.421 5
Hi High (pH 8-9.5) 0.79 6.25 -4.97 2 3 0 40 264.413 5

Activity (Go SEA)

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