UCSF

ZINC44648776

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.53 0.33 -52.11 4 6 1 92 272.35 6
Hi High (pH 8-9.5) 0.53 0.49 -69.11 3 6 0 94 271.342 6
Hi High (pH 8-9.5) 0.53 -0.86 -50.68 2 6 -1 89 270.334 6

Activity (Go SEA)

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