UCSF

ZINC70096218

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2011 20 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) 3.11 7.66 -43.8 2 3 1 35 272.368 8
Hi High (pH 8-9.5) 3.11 6.31 -5.62 1 3 0 30 271.36 8

Activity (Go SEA)

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

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