UCSF

ZINC57826387

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2011 29 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) 2.21 10.01 -13.82 0 6 0 62 395.413 3
Lo Low (pH 4.5-6) 2.21 10.34 -41.76 1 6 1 63 396.421 3

Activity (Go SEA)

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