UCSF

ZINC06117746

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2006 23 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) 4.22 10.32 -10.98 1 3 0 38 317.314 5
Lo Low (pH 4.5-6) 4.22 10.78 -33.18 2 3 1 39 318.322 5

Activity (Go SEA)

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