UCSF

ZINC43907506

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 2.71 8.78 -111.33 3 3 2 30 272.477 8
Hi High (pH 8-9.5) 2.71 7.88 -36.6 2 3 1 26 271.469 8
Mid Mid (pH 6-8) 2.71 8.56 -37.37 2 3 1 29 271.469 8

Activity (Go SEA)

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