UCSF

ZINC41668887

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 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) 6.12 10.3 -13.34 0 5 0 52 482.363 4
Lo Low (pH 4.5-6) 6.12 13.18 -63.45 1 5 1 53 483.371 4

Activity (Go SEA)

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