UCSF

ZINC39326856

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 30 No

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 5.24 -10.18 3 6 0 90 401.466 4
Lo Low (pH 4.5-6) 4.00 6.64 -55.77 4 6 1 94 402.474 4

Activity (Go SEA)

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