UCSF

ZINC40057945

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 34 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) 4.54 12.36 -12.11 0 7 0 82 456.498 4
Lo Low (pH 4.5-6) 4.54 12.69 -35.07 1 7 1 83 457.506 4

Activity (Go SEA)

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