UCSF

ZINC41649664

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 31 No

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) 4.11 9.24 -12.43 0 6 0 65 417.461 4
Lo Low (pH 4.5-6) 4.11 12.12 -42.77 1 6 1 66 418.469 4

Activity (Go SEA)

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