UCSF

ZINC39952230

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 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) 3.01 7.59 -48.64 2 4 1 46 277.388 6
Hi High (pH 8-9.5) 3.01 6.27 -5.79 1 4 0 42 276.38 6
Hi High (pH 8-9.5) 1.12 6.84 -21.69 2 10 0 113 506.506 9

Activity (Go SEA)

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