UCSF

ZINC31501876

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2009 19 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) 0.49 3.24 -47.01 1 5 -1 82 275.309 4
Lo Low (pH 4.5-6) 0.49 3.95 -42.49 1 5 -1 82 275.309 4
Lo Low (pH 4.5-6) 0.49 3.42 -21.41 2 5 0 83 276.317 4

Activity (Go SEA)

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