UCSF

ZINC68959772

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2011 28 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) 4.97 12.91 -45.32 2 4 1 43 381.54 9
Hi High (pH 8-9.5) 4.97 8.94 -8.38 1 4 0 42 380.532 9

Activity (Go SEA)

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

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