UCSF

ZINC43905442

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 1.52 4.72 -30.24 2 4 1 35 255.382 4
Hi High (pH 8-9.5) 1.52 2.31 -2.95 1 4 0 34 254.374 4
Hi High (pH 8-9.5) 1.52 3.98 -35.46 2 4 1 38 255.382 4

Activity (Go SEA)

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