UCSF

ZINC43395951

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 0.12 5.72 -110.05 4 5 2 65 266.389 6
Hi High (pH 8-9.5) 0.12 5.12 -13.41 2 5 0 62 264.373 6
Mid Mid (pH 6-8) 0.12 5.19 -64.61 3 5 1 64 265.381 6

Activity (Go SEA)

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