UCSF

ZINC04031559

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 24 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) 3.60 7.22 -12.12 1 5 0 60 340.404 5
Hi High (pH 8-9.5) 3.67 6.33 -48.14 0 5 -1 67 339.396 5

Activity (Go SEA)

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