UCSF

ZINC62980257

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 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) 0.72 3.21 -31.76 2 3 1 20 224.372 2
Hi High (pH 8-9.5) 0.72 0.83 -1.47 1 3 0 19 223.364 2
Hi High (pH 8-9.5) 0.72 2.16 -37.25 2 3 1 23 224.372 2
Mid Mid (pH 6-8) 0.72 4.54 -88.94 3 3 2 24 225.38 2

Activity (Go SEA)

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