UCSF

ZINC04057284

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 27 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) 3.43 10.57 -12.4 1 5 0 60 379.847 5
Lo Low (pH 4.5-6) 3.43 11.04 -47.75 2 5 1 61 380.855 5

Activity (Go SEA)

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