UCSF

ZINC08171197

Substance Information

In ZINC since Heavy atoms Benign functionality
July 3rd, 2006 24 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) 3.03 7.79 -12.2 1 5 0 51 328.412 8
Lo Low (pH 4.5-6) 3.03 8.57 -26.34 2 5 0 52 329.42 8

Activity (Go SEA)

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