UCSF

ZINC22991895

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 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) 3.33 5.84 -16.97 2 6 0 85 398.484 7
Mid Mid (pH 6-8) 3.33 5.91 -46.7 1 6 -1 87 397.476 7

Activity (Go SEA)

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

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