UCSF

ZINC34824107

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 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) 0.90 5.07 -51.35 3 4 1 53 272.372 3
Hi High (pH 8-9.5) 0.90 3.83 -8.61 2 4 0 48 271.364 3
Mid Mid (pH 6-8) 0.90 5.52 -99.41 4 4 2 54 273.38 3

Activity (Go SEA)

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