UCSF

ZINC39547933

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 30 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) 3.22 10.27 -20.17 1 5 0 62 421.928 5
Lo Low (pH 4.5-6) 3.22 10.63 -47.02 2 5 1 64 422.936 5

Activity (Go SEA)

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