UCSF

ZINC36877921

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 2.92 6.74 -60.64 4 3 1 56 286.305 3
Mid Mid (pH 6-8) 2.92 6.44 -12.36 3 3 0 55 285.297 3
Mid Mid (pH 6-8) 2.92 6.8 -40.58 4 3 1 56 286.305 3

Activity (Go SEA)

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

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