UCSF

ZINC65529006

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 23 No

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) 2.00 3.27 -16.78 3 6 0 87 315.373 3
Hi High (pH 8-9.5) 2.18 0.81 -51.68 2 6 -1 94 314.365 3

Activity (Go SEA)

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

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