UCSF

ZINC39536943

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 28 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) 2.99 5.77 -38.34 2 5 1 40 390.592 9
Mid Mid (pH 6-8) 2.99 5.95 -40.15 2 5 1 40 390.592 9
Lo Low (pH 4.5-6) 2.99 7.93 -90.7 3 5 2 42 391.6 9
Lo Low (pH 4.5-6) 2.99 8.19 -110.79 3 5 2 42 391.6 9

Activity (Go SEA)

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