UCSF

ZINC03181849

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 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) 3.24 -2.55 -12.3 3 7 0 113 340.364 4
Lo Low (pH 4.5-6) 3.24 -2.45 -48.06 3 7 1 113 340.364 4

Activity (Go SEA)

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