UCSF

ZINC21784150

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 26 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) 1.95 4.68 -17.96 3 7 0 104 371.418 5
Mid Mid (pH 6-8) 2.41 3.57 -47.08 2 7 -1 107 370.41 5

Activity (Go SEA)

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