UCSF

ZINC64755847

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2011 24 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) 5.08 6.66 -10.33 1 4 0 59 398.6 7
Hi High (pH 8-9.5) 5.08 6.3 -45.09 0 4 -1 61 397.592 7

Activity (Go SEA)

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

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