UCSF

ZINC38735462

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 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) 4.50 11.85 -25.33 1 5 0 56 393.512 5
Lo Low (pH 4.5-6) 4.50 12.29 -39.19 2 5 1 57 394.52 5

Activity (Go SEA)

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