UCSF

ZINC35769007

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 37 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) 6.73 17.35 -12.92 0 5 0 49 511.069 6
Lo Low (pH 4.5-6) 6.73 17.67 -40.81 1 5 1 51 512.077 6

Activity (Go SEA)

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