UCSF

ZINC01358396

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.49 7.24 -16.58 2 5 0 71 297.358 5
Lo Low (pH 4.5-6) 2.49 7.02 -33.33 3 5 1 72 298.366 5

Activity (Go SEA)

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