UCSF

ZINC44442893

Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2010 19 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) 0.67 3.56 -16.21 1 6 0 67 258.281 1
Lo Low (pH 4.5-6) 0.67 3.99 -34.69 2 6 1 68 259.289 1

Activity (Go SEA)

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