UCSF

ZINC69816470

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 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) 2.34 5.79 -20.38 1 6 0 67 312.373 5
Hi High (pH 8-9.5) 2.79 5.08 -46.6 0 6 -1 70 311.365 5
Mid Mid (pH 6-8) 2.79 7.56 -52.17 1 6 0 71 312.373 5

Activity (Go SEA)

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

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