UCSF

ZINC69515272

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 18 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) 2.33 4.34 -55.99 3 5 -1 91 242.258 3
Mid Mid (pH 6-8) 2.33 4.8 -44.38 4 5 0 92 243.266 3

Activity (Go SEA)

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

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