UCSF

ZINC41599461

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 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) 1.14 1.05 -63.8 2 5 0 69 277.299 2
Mid Mid (pH 6-8) 0.96 1.49 -8.84 2 5 0 61 277.299 2
Mid Mid (pH 6-8) 0.96 3.7 -55.37 3 5 1 63 278.307 2

Activity (Go SEA)

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

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