UCSF

ZINC65521349

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 24 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) -0.20 -0.99 -13.13 4 8 0 127 330.344 4
Mid Mid (pH 6-8) 0.26 -2.79 -52.56 3 8 -1 130 329.336 4

Activity (Go SEA)

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

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