UCSF

ZINC37853345

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 Yes

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) 3.79 7.77 -46.24 3 3 1 46 324.231 6
Hi High (pH 8-9.5) 3.79 6.39 -8.76 2 3 0 41 323.223 6

Activity (Go SEA)

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