UCSF

ZINC06796658

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 24 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) 4.34 7.02 -14.69 2 5 0 71 346.814 5
Hi High (pH 8-9.5) 4.34 7.81 -45.41 1 5 -1 74 345.806 5
Hi High (pH 8-9.5) 4.34 8.11 -67 1 5 -1 74 345.806 5

Activity (Go SEA)

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