UCSF

ZINC43248610

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 No

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) 0.80 2.7 -51.58 3 3 1 48 287.474 4
Hi High (pH 8-9.5) 0.80 2.39 -10.06 2 3 0 46 286.466 4

Activity (Go SEA)

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