UCSF

ZINC22073427

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 13 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) 1.72 3.87 -38.73 2 2 1 20 185.335 5
Mid Mid (pH 6-8) 1.72 6.09 -103.83 3 2 2 21 186.343 5
Mid Mid (pH 6-8) 1.72 4.63 -27.98 2 2 1 16 185.335 5

Activity (Go SEA)

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