UCSF

ZINC69970188

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) 0.44 1.11 -53.46 3 4 1 63 183.231 2
Hi High (pH 8-9.5) 0.44 0.7 -6.54 2 4 0 61 182.223 2

Activity (Go SEA)

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

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