UCSF

ZINC39705549

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2010 27 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) 5.49 15.37 -9.28 2 7 0 75 368.485 6
Lo Low (pH 4.5-6) 5.49 15.92 -22.26 3 7 1 76 369.493 6
Lo Low (pH 4.5-6) 5.49 15.79 -21.97 3 7 1 76 369.493 6

Activity (Go SEA)

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