UCSF

ZINC31604546

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2009 29 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) -0.05 4.9 -53.34 2 8 1 89 396.471 6
Mid Mid (pH 6-8) -0.05 4.61 -20.1 1 8 0 88 395.463 6
Lo Low (pH 4.5-6) -0.05 5.31 -81.98 3 8 2 90 397.479 6

Activity (Go SEA)

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