UCSF

ZINC63958599

Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 25 No

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) 1.34 5.8 -37.37 2 7 1 80 344.439 5
Mid Mid (pH 6-8) 1.34 5.47 -11.23 1 7 0 79 343.431 5

Activity (Go SEA)

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

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