UCSF

ZINC06695972

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 31 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) 4.68 12.12 -13.76 1 6 0 71 414.509 9
Lo Low (pH 4.5-6) 4.68 12.56 -26.66 2 6 1 73 415.517 9

Activity (Go SEA)

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