UCSF

ZINC00528860

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 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) 1.96 6.44 -8.6 1 3 0 37 207.302 1
Mid Mid (pH 6-8) 1.96 6.52 -26.1 2 3 1 39 208.31 2
Lo Low (pH 4.5-6) 1.96 6.33 -82.35 3 3 2 40 209.318 2

Activity (Go SEA)

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