UCSF

ZINC13220650

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 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) 3.39 4.96 -9.26 1 3 0 42 251.285 2
Lo Low (pH 4.5-6) 3.39 5.18 -30.46 2 3 1 44 252.293 2

Activity (Go SEA)

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