UCSF

ZINC57998131

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 21 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) 3.38 4.08 -9.81 3 4 0 61 347.212 3
Hi High (pH 8-9.5) 3.38 4.84 -42.05 2 4 -1 64 346.204 3

Activity (Go SEA)

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

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