UCSF

ZINC34590512

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 16 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) 2.63 6.56 -13.48 0 2 0 26 208.264 0
Lo Low (pH 4.5-6) 2.63 7.07 -27.87 1 2 1 27 209.272 0
Lo Low (pH 4.5-6) 2.63 7.04 -26.81 1 2 1 27 209.272 0

Activity (Go SEA)

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