UCSF

ZINC08743830

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 28 No

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) 1.27 5.49 -68.51 0 8 -1 101 386.38 8
Mid Mid (pH 6-8) 0.68 6.37 -16.46 0 8 0 95 387.388 8
Mid Mid (pH 6-8) 1.27 5.84 -16.88 1 8 0 98 387.388 8

Activity (Go SEA)

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