UCSF

ZINC19294394

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 24 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 5.7 -45.36 1 4 1 20 344.401 5
Mid Mid (pH 6-8) 2.68 3.33 -4.73 0 4 0 19 343.393 5
Lo Low (pH 4.5-6) 2.68 5.67 -41.35 1 4 1 20 344.401 5

Activity (Go SEA)

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