UCSF

ZINC43423150

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) 1.00 4.05 -49.92 3 4 1 53 234.323 2
Hi High (pH 8-9.5) 1.00 3.68 -5.28 2 4 0 51 233.315 2
Mid Mid (pH 6-8) 1.00 4.52 -104.81 4 4 2 54 235.331 2

Activity (Go SEA)

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