UCSF

ZINC04282748

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 25 No

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) 3.38 5.3 -10.36 3 6 0 91 357.797 6
Lo Low (pH 4.5-6) 3.38 5.55 -38.57 4 6 1 92 358.805 6

Activity (Go SEA)

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