UCSF

ZINC19823754

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 15 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) 2.12 1.8 -39.77 3 3 1 40 229.731 5
Hi High (pH 8-9.5) 2.12 2.64 -30.14 2 3 0 43 228.723 5
Mid Mid (pH 6-8) 2.12 2.91 -37.61 3 3 1 37 229.731 5

Activity (Go SEA)

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