UCSF

ZINC39119265

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 16 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) 1.28 7.78 -145.32 0 5 -2 85 217.18 2
Lo Low (pH 4.5-6) 1.28 5.73 -59.78 1 5 -1 82 218.188 2
Lo Low (pH 4.5-6) 1.28 5.81 -67.15 1 5 -1 82 218.188 2

Activity (Go SEA)

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