UCSF

ZINC21822185

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 25 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) 3.19 9.08 -39.16 2 4 1 37 356.515 6
Mid Mid (pH 6-8) 3.19 6.87 -8.31 1 4 0 36 355.507 6
Mid Mid (pH 6-8) 3.19 9.14 -38.26 2 4 1 37 356.515 6

Activity (Go SEA)

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