UCSF

ZINC04268344

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 25 Yes

Download: MOL2 SDF SMILES Flexibase

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) 5.17 12.74 -11.58 0 4 0 42 349.821 4
Lo Low (pH 4.5-6) 5.17 13.1 -28.41 1 4 1 43 350.829 4

Activity (Go SEA)

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