UCSF

ZINC19905986

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 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) 3.55 9.82 -117.59 3 2 2 21 250.43 9
Hi High (pH 8-9.5) 3.55 8.68 -28.28 2 2 1 16 249.422 9
Mid Mid (pH 6-8) 3.55 8.02 -37.67 2 2 1 20 249.422 9

Activity (Go SEA)

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