UCSF

ZINC98090136

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2014 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.36 3.33 -70.51 2 5 0 63 243.351 5
Hi High (pH 8-9.5) 0.36 1.98 -50.38 1 5 -1 59 242.343 5
Mid Mid (pH 6-8) 0.36 1.6 -41.29 3 5 1 60 244.359 5

Activity (Go SEA)

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

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