UCSF

ZINC43912817

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) 1.86 3.44 -29.28 2 4 1 38 259.414 9
Hi High (pH 8-9.5) 1.86 3.15 -2.17 1 4 0 34 258.406 9
Hi High (pH 8-9.5) 1.86 4.21 -27.88 2 4 1 35 259.414 9

Activity (Go SEA)

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