UCSF

ZINC12418202

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2008 23 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) 1.34 -3.17 -13.55 3 7 0 96 335.385 4
Lo Low (pH 4.5-6) 1.34 3.16 -40.37 4 7 1 97 336.393 4

Activity (Go SEA)

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