UCSF

ZINC39327960

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 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) 4.00 8.32 -15.9 3 5 0 81 444.894 5
Lo Low (pH 4.5-6) 4.00 8.78 -43.36 4 5 1 82 445.902 5

Activity (Go SEA)

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