UCSF

ZINC05889205

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 14 No

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) -0.10 2.9 -42.02 4 4 1 68 213.33 4
Mid Mid (pH 6-8) -0.10 1.73 -6.67 3 4 0 64 212.322 4
Lo Low (pH 4.5-6) -0.10 3.33 -98.42 5 4 2 70 214.338 4

Activity (Go SEA)

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