UCSF

ZINC64858066

Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2011 26 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) 2.70 8.56 -101.64 2 6 -2 121 364.438 15
Lo Low (pH 4.5-6) 2.70 6.58 -55.27 3 6 -1 118 365.446 15

Activity (Go SEA)

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

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