UCSF

ZINC62876416

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2011 21 No

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) 0.28 5.64 -52.02 2 7 0 94 297.355 4
Hi High (pH 8-9.5) 0.28 3.79 -53.12 1 7 -1 93 296.347 4

Activity (Go SEA)

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

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