UCSF

ZINC19905991

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) 3.67 9.96 -110.16 3 2 2 21 250.43 8
Hi High (pH 8-9.5) 3.67 9.7 -29.91 2 2 1 16 249.422 8
Mid Mid (pH 6-8) 3.67 8.09 -33.59 2 2 1 20 249.422 8

Activity (Go SEA)

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