UCSF

ZINC09669265

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2007 29 No

Other Names:

MFCD03301909

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) 2.95 5.96 -63.38 1 6 -1 90 412.849 5
Mid Mid (pH 6-8) 2.37 6.88 -24.6 1 6 0 84 413.857 5
Mid Mid (pH 6-8) 3.40 5.55 -20.92 2 6 0 87 413.857 4

Activity (Go SEA)

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