UCSF

ZINC35368943

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 19 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) 1.07 3.74 -14.98 2 5 0 83 272.285 2
Hi High (pH 8-9.5) 1.97 1.56 -52.82 1 5 -1 86 271.277 2

Activity (Go SEA)

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

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