UCSF

ZINC41665354

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 31 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) 3.94 8.48 -14.19 0 6 0 65 414.461 4
Lo Low (pH 4.5-6) 3.94 8.95 -45.43 1 6 1 66 415.469 4
Lo Low (pH 4.5-6) 3.94 11.32 -49.64 1 6 1 66 415.469 4

Activity (Go SEA)

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