UCSF

ZINC94437804

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2013 17 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -5.09 -0.7 -82.47 4 8 -1 164 242.211 7
Hi High (pH 8-9.5) -5.09 -1.03 -100.3 3 8 -2 163 241.203 7

Activity (Go SEA)

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

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