UCSF

ZINC36705037

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 36 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) 5.69 11.58 -12.37 0 6 0 59 514.676 7
Lo Low (pH 4.5-6) 5.69 13.85 -43.69 1 6 1 60 515.684 7

Activity (Go SEA)

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