UCSF

ZINC04171783

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 24 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) 3.40 4.43 -38.94 0 5 -1 65 341.774 2
Lo Low (pH 4.5-6) 3.22 6 -10.99 1 5 0 59 342.782 2

Activity (Go SEA)

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