UCSF

ZINC34970729

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 30 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) 5.56 14.98 -9.46 0 3 0 33 400.566 8
Lo Low (pH 4.5-6) 5.56 15.41 -47.4 1 3 1 34 401.574 8

Activity (Go SEA)

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