UCSF

ZINC41146991

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 23 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) 2.89 8.22 -34.42 4 6 1 85 308.365 4
Hi High (pH 8-9.5) 2.89 7.73 -12.96 3 6 0 84 307.357 4

Activity (Go SEA)

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

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