UCSF

ZINC00039093

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 23 No

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) 1.43 -8.92 -11.7 4 8 0 119 339.421 5
Lo Low (pH 4.5-6) 1.43 -8.78 -33.62 5 8 1 120 340.429 5

Activity (Go SEA)

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