UCSF

ZINC50243862

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2010 11 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) -1.66 -3.79 -47.2 5 4 1 74 158.225 3
Lo Low (pH 4.5-6) -1.66 -1.3 -116.78 6 4 2 75 159.233 3
Lo Low (pH 4.5-6) -1.66 -1.58 -38.79 5 4 1 74 158.225 3

Activity (Go SEA)

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