UCSF

ZINC41583965

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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 10.94 -46.85 2 6 1 73 478.487 6
Mid Mid (pH 6-8) 5.99 11.7 -27.37 1 6 0 76 477.479 6

Activity (Go SEA)

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