UCSF

ZINC20128861

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 17 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) 1.08 5.65 -38.03 2 4 1 34 237.371 6
Hi High (pH 8-9.5) 1.08 4.78 -43.78 2 4 1 38 237.371 6
Mid Mid (pH 6-8) 1.08 7.07 -110 3 4 2 39 238.379 6

Activity (Go SEA)

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