UCSF

ZINC04372089

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2005 28 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) 3.16 8.83 -11.85 1 6 0 73 392.846 5
Lo Low (pH 4.5-6) 3.16 9.11 -44.52 2 6 1 74 393.854 5

Activity (Go SEA)

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