UCSF

ZINC34936472

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 34 No

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) 3.44 14.21 -64.91 0 8 -1 103 462.526 6
Lo Low (pH 4.5-6) 3.44 14.1 -81.17 1 8 0 104 463.534 6

Activity (Go SEA)

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