UCSF

ZINC39680836

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 31 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) 1.73 8.22 -61.7 3 6 1 79 421.565 5
Lo Low (pH 4.5-6) 1.73 8.69 -110.9 4 6 2 80 422.573 5

Activity (Go SEA)

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