UCSF

ZINC04268430

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 18 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) 1.87 8.48 -31.94 2 4 1 42 243.334 4
Lo Low (pH 4.5-6) 1.87 8.92 -81.35 3 4 2 43 244.342 4

Activity (Go SEA)

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