UCSF

ZINC23990066

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2009 27 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) 2.46 5.89 -18.82 1 7 0 85 385.445 5
Mid Mid (pH 6-8) 2.91 7.25 -51.94 1 7 0 89 385.445 5
Lo Low (pH 4.5-6) 1.37 7.7 -51.91 1 7 1 83 386.453 5

Activity (Go SEA)

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