UCSF

ZINC41797642

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 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) -0.34 5.61 -64.65 2 4 0 57 228.336 5
Mid Mid (pH 6-8) -0.34 4.23 -34.96 2 4 0 60 228.336 5
Mid Mid (pH 6-8) -0.34 6.64 -70.71 3 4 1 61 229.344 5

Activity (Go SEA)

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