UCSF

ZINC43968735

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 19 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) 2.95 6.52 -31.72 2 3 1 29 265.421 10
Hi High (pH 8-9.5) 2.95 5.7 -2.37 1 3 0 24 264.413 10
Mid Mid (pH 6-8) 2.95 7.52 -33.06 2 3 1 26 265.421 10

Activity (Go SEA)

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