UCSF

ZINC13126249

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 20 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) 2.68 5.27 -13.79 1 5 0 72 269.304 3
Mid Mid (pH 6-8) 2.86 5.97 -29.11 3 5 1 76 270.312 1
Lo Low (pH 4.5-6) 3.13 6.77 -101.02 3 5 2 74 271.32 2

Activity (Go SEA)

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