UCSF

ZINC39555814

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) 2.81 11.49 -23.87 1 7 0 78 402.502 5
Lo Low (pH 4.5-6) 2.81 11.96 -50.87 2 7 1 79 403.51 5

Activity (Go SEA)

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