UCSF

ZINC04593410

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2005 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) 0.93 5.05 -10 2 6 0 79 219.248 5
Lo Low (pH 4.5-6) 0.93 0.89 -30.23 3 6 1 80 220.256 5
Lo Low (pH 4.5-6) 0.93 5.3 -33.22 3 6 1 80 220.256 5

Activity (Go SEA)

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