UCSF

ZINC41656343

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 30 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) 3.61 7.26 -11.39 0 6 0 61 407.466 5
Lo Low (pH 4.5-6) 3.61 10.16 -47.67 1 6 1 62 408.474 5

Activity (Go SEA)

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