UCSF

ZINC37051964

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) -0.42 5.45 -38.66 3 4 1 51 266.34 5
Lo Low (pH 4.5-6) -0.41 5.77 -99.21 4 4 2 52 267.348 5

Activity (Go SEA)

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