UCSF

ZINC23358856

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) 2.24 6.33 -48.96 2 6 1 57 394.511 7
Mid Mid (pH 6-8) 2.24 4.11 -10.82 1 6 0 56 393.503 7
Mid Mid (pH 6-8) 2.24 6.29 -41.62 2 6 1 57 394.511 7

Activity (Go SEA)

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

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