UCSF

ZINC12536313

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 31 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) 4.48 9.01 -17.23 2 6 0 92 436.533 7
Hi High (pH 8-9.5) 4.48 9.1 -42.54 1 6 -1 94 435.525 7

Activity (Go SEA)

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

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