UCSF

ZINC09241759

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 31 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) 5.94 0.11 -15.49 0 5 0 55 451.979 8
Lo Low (pH 4.5-6) 5.94 0.22 -53.25 1 5 1 56 452.987 8

Activity (Go SEA)

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