UCSF

ZINC34649554

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 26 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) 4.72 12.64 -51.46 2 2 1 20 345.51 9
Hi High (pH 8-9.5) 4.72 11.55 -3.26 1 2 0 15 344.502 9
Lo Low (pH 4.5-6) 4.72 13.34 -118.89 3 2 2 21 346.518 9

Activity (Go SEA)

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