UCSF

ZINC41585147

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 31 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 4.52 9.54 -9.46 1 5 0 57 412.489 4
Mid Mid (pH 6-8) 4.52 10.13 -42.13 0 5 -1 60 411.481 4
Mid Mid (pH 6-8) 4.52 11.79 -48.5 2 5 1 58 413.497 4
Mid Mid (pH 6-8) 4.52 12.35 -31.45 1 5 0 61 412.489 4

Activity (Go SEA)

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