UCSF

ZINC12521294

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 23 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) 1.97 0.48 -15.84 2 7 0 102 356.425 6
Hi High (pH 8-9.5) 1.97 0.56 -42.89 1 7 -1 104 355.417 6
Hi High (pH 8-9.5) 1.97 0.58 -39.78 1 7 -1 104 355.417 6
Hi High (pH 8-9.5) 1.97 0.66 -95.23 0 7 -2 106 354.409 6

Activity (Go SEA)

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