UCSF

ZINC48817744

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 18 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) 0.65 4.44 -16.55 1 6 0 73 265.342 3
Hi High (pH 8-9.5) 0.72 2.59 -52.56 0 6 -1 79 264.334 3

Activity (Go SEA)

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