UCSF

ZINC42387122

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 18 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) 3.50 9.98 -111.29 3 2 2 21 250.43 9
Hi High (pH 8-9.5) 3.50 8.81 -34.88 2 2 1 16 249.422 9
Mid Mid (pH 6-8) 3.50 7.83 -36.72 2 2 1 20 249.422 9

Activity (Go SEA)

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