UCSF

ZINC40096640

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 30 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) 2.54 5.44 -51.94 1 7 -1 99 449.266 5
Lo Low (pH 4.5-6) 2.54 4.69 -12.84 2 7 0 96 450.274 5

Activity (Go SEA)

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