UCSF

ZINC48822471

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2010 15 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) -0.24 4.33 -79.21 2 5 0 77 214.265 5
Mid Mid (pH 6-8) -0.24 3 -48.19 1 5 -1 72 213.257 5
Lo Low (pH 4.5-6) -0.24 2.36 -50.99 3 5 1 74 215.273 5

Activity (Go SEA)

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