UCSF

ZINC69966509

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 13 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) -0.11 0.03 -36.15 1 7 -1 91 196.219 3
Lo Low (pH 4.5-6) -0.11 0.03 -8.28 2 7 0 92 197.227 3

Activity (Go SEA)

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

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