UCSF

ZINC37115834

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 29 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) 2.72 9.71 -22.35 1 6 0 77 402.376 5
Lo Low (pH 4.5-6) 2.72 9.89 -47.8 2 6 1 78 403.384 5

Activity (Go SEA)

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