UCSF

ZINC34557009

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 21 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) 3.35 7.47 -46.54 2 4 -1 72 290.383 7
Lo Low (pH 4.5-6) 3.35 8.08 -69.56 3 4 0 77 291.391 7

Activity (Go SEA)

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