UCSF

ZINC06675677

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2006 24 Yes

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) 4.63 9.94 -20.97 1 5 0 62 351.516 9
Hi High (pH 8-9.5) 4.44 9.06 -41.93 0 5 -1 69 350.508 9

Activity (Go SEA)

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