UCSF

ZINC43913326

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 16 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) 2.05 6.03 -111.59 3 3 2 30 228.38 3
Hi High (pH 8-9.5) 2.05 2.59 -1.45 1 3 0 24 226.364 3
Mid Mid (pH 6-8) 2.05 4.95 -29.3 2 3 1 26 227.372 3

Activity (Go SEA)

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