UCSF

ZINC05891131

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 21 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) 3.73 8.14 -33.6 4 3 1 42 288.459 3
Lo Low (pH 4.5-6) 3.73 7.98 -82.76 5 3 2 44 289.467 3
Lo Low (pH 4.5-6) 3.73 8.6 -95.96 5 3 2 47 289.467 3

Activity (Go SEA)

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