UCSF

ZINC04134987

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 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) 2.73 -1.34 -17.83 1 6 0 73 341.392 5
Lo Low (pH 4.5-6) 2.73 -1.23 -50.35 2 6 1 74 342.4 5

Activity (Go SEA)

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