UCSF

ZINC43896496

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 20 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) 2.79 6.31 -2.36 2 4 0 35 285.452 6
Hi High (pH 8-9.5) 2.79 4.68 -2.15 1 4 0 34 284.444 6
Mid Mid (pH 6-8) 2.79 5.45 -2.3 2 4 0 38 285.452 6

Activity (Go SEA)

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