UCSF

ZINC52379566

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 19 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) 1.48 6.38 -82.38 3 4 2 37 267.417 6
Mid Mid (pH 6-8) 1.48 6.23 -89.74 3 4 2 37 267.417 6
Mid Mid (pH 6-8) 1.48 4.02 -38.54 2 4 1 36 266.409 6

Activity (Go SEA)

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

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