UCSF

ZINC23358025

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 28 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) 3.30 7.68 -39.6 2 4 1 37 391.482 8
Mid Mid (pH 6-8) 3.30 7.58 -32.82 2 4 1 37 391.482 8
Mid Mid (pH 6-8) 3.30 5.38 -6.66 1 4 0 36 390.474 8

Activity (Go SEA)

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

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