UCSF

ZINC34867280

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 38 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) 5.99 13.96 -16.63 2 6 0 71 509.65 6
Lo Low (pH 4.5-6) 5.99 15.27 -64.91 3 6 1 75 510.658 6

Activity (Go SEA)

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