UCSF

ZINC41666180

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 30 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) 4.14 10.82 -15.37 0 6 0 69 407.466 6
Lo Low (pH 4.5-6) 4.14 13.43 -48.77 1 6 1 70 408.474 6

Activity (Go SEA)

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