UCSF

ZINC25560487

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.48 8.42 -15.91 1 6 0 79 413.524 6
Hi High (pH 8-9.5) 3.55 7.5 -44.95 0 6 -1 86 412.516 6

Activity (Go SEA)

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