UCSF

ZINC70327704

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 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) -0.42 -0.25 -14.88 5 8 0 133 270.252 2
Hi High (pH 8-9.5) 0.03 -2.32 -43.65 4 8 -1 136 269.244 2

Activity (Go SEA)

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

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