UCSF

ZINC69233493

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 21 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) 2.16 6.36 -5.87 2 5 0 59 289.379 5
Mid Mid (pH 6-8) 2.16 6.88 -39 3 5 1 60 290.387 5
Mid Mid (pH 6-8) 2.16 6.65 -42.98 3 5 1 60 290.387 5
Lo Low (pH 4.5-6) 2.16 7.12 -96.09 4 5 2 62 291.395 5

Activity (Go SEA)

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

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