UCSF

ZINC21158038

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2008 30 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) 4.04 11.27 -11.47 1 7 0 68 402.502 6
Mid Mid (pH 6-8) 4.04 13.61 -48.1 2 7 1 69 403.51 6

Activity (Go SEA)

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

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