UCSF

ZINC41363642

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) -0.57 2.21 -38.87 1 5 1 37 228.316 2
Mid Mid (pH 6-8) -0.57 2.01 -39.06 1 5 1 37 228.316 2
Mid Mid (pH 6-8) -0.57 -0.17 -8.68 0 5 0 36 227.308 2

Activity (Go SEA)

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