UCSF

ZINC52904984

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 17 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) 1.45 5.61 -89.73 4 3 2 41 256.777 3
Hi High (pH 8-9.5) 1.45 5.21 -39.23 3 3 1 40 255.769 3
Hi High (pH 8-9.5) 1.45 3.23 -36.58 3 3 1 40 255.769 3

Activity (Go SEA)

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

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