UCSF

ZINC21319778

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 2008 24 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) 3.36 8.54 -43.69 2 4 1 37 328.411 3
Mid Mid (pH 6-8) 3.36 6.08 -11 1 4 0 36 327.403 3

Activity (Go SEA)

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