UCSF

ZINC22167229

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 14 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) 0.78 3.46 -107.71 4 3 2 35 201.358 5
Mid Mid (pH 6-8) 0.78 3.05 -114.1 4 3 2 35 201.358 5
Mid Mid (pH 6-8) 0.78 1.08 -41.76 3 3 1 34 200.35 5

Activity (Go SEA)

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