UCSF

ZINC12358606

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 10 Yes

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) -2.49 -0.54 -100.15 2 6 -2 121 148.07 3
Lo Low (pH 4.5-6) -2.49 -2.52 -42.26 3 6 -1 118 149.078 3

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.