UCSF

ZINC49541827

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 18 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) 3.01 2.06 -12.97 3 5 0 88 301.418 2
Mid Mid (pH 6-8) 2.08 1.51 -50.96 2 5 -1 87 300.41 3
Mid Mid (pH 6-8) 3.01 1.91 -54.96 4 5 1 90 302.426 2

Activity (Go SEA)

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

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