UCSF

ZINC33690426

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 26 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) 4.39 8.21 -4.7 1 3 0 24 388.964 5
Mid Mid (pH 6-8) 4.39 9.05 -48.31 2 3 1 29 389.972 5
Lo Low (pH 4.5-6) 4.39 11.33 -123.74 3 3 2 30 390.98 5
Lo Low (pH 4.5-6) 4.39 10.47 -40.79 2 3 1 26 389.972 5

Activity (Go SEA)

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