UCSF

ZINC34528459

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 29 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) 6.49 12.75 -7.45 1 3 0 38 387.523 8
Lo Low (pH 4.5-6) 6.49 13.48 -28.55 2 3 1 43 388.531 8

Activity (Go SEA)

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