UCSF

ZINC65164254

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 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) 1.49 5.09 -46.58 3 7 1 81 287.299 1
Ref Reference (pH 7) 1.49 5.08 -46.43 3 7 1 81 287.299 1
Mid Mid (pH 6-8) 1.49 4.62 -15.01 2 7 0 79 286.291 1
Mid Mid (pH 6-8) 1.49 4.62 -12.22 2 7 0 79 286.291 1

Activity (Go SEA)

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

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