UCSF

ZINC54765102

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2010 17 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) -1.10 1.57 -47.5 4 7 1 89 235.271 5
Mid Mid (pH 6-8) -1.10 1.09 -19.99 3 7 0 88 234.263 5

Activity (Go SEA)

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

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