UCSF

ZINC36754329

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 17 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) -1.61 -4.21 -54.22 4 7 1 99 240.287 3
Mid Mid (pH 6-8) -1.61 -2.35 -50.65 4 7 1 98 240.287 3
Lo Low (pH 4.5-6) -1.61 -2.02 -119.28 5 7 2 100 241.295 3

Activity (Go SEA)

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

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