UCSF

ZINC19798678

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 29 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) 5.25 13.49 -45.88 1 3 1 25 405.949 6
Hi High (pH 8-9.5) 5.25 11.25 -9.28 0 3 0 24 404.941 6
Mid Mid (pH 6-8) 5.25 13.47 -44.48 1 3 1 25 405.949 6

Activity (Go SEA)

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