UCSF

ZINC22783744

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 24 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) 3.53 8.44 -44.54 2 4 1 37 344.504 5
Hi High (pH 8-9.5) 3.53 6.2 -11.66 1 4 0 36 343.496 5
Mid Mid (pH 6-8) 3.53 8.77 -38.71 2 4 1 37 344.504 5

Activity (Go SEA)

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