UCSF

ZINC70712576

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2011 15 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) -0.03 -1.17 -43.87 1 7 -1 99 232.289 5
Lo Low (pH 4.5-6) -0.03 -1.18 -13.32 2 7 0 101 233.297 5

Activity (Go SEA)

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

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