UCSF

ZINC23303948

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2008 32 Yes

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) 2.33 6.56 -47.57 2 8 1 74 444.552 10
Hi High (pH 8-9.5) 2.33 4.16 -14.41 1 8 0 73 443.544 10

Activity (Go SEA)

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