UCSF

ZINC42781708

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 16 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) 2.22 6.2 -107.35 3 3 2 30 230.396 8
Hi High (pH 8-9.5) 2.22 2.8 -1.96 1 3 0 24 228.38 8
Hi High (pH 8-9.5) 2.22 5 -29.18 2 3 1 26 229.388 8
Hi High (pH 8-9.5) 2.22 3.99 -36.81 2 3 1 29 229.388 8

Activity (Go SEA)

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