UCSF

ZINC22023318

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 21 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) 3.25 10.03 -38.57 1 2 1 17 289.349 3
Lo Low (pH 4.5-6) 3.25 10.47 -98.93 2 2 2 19 290.357 3

Activity (Go SEA)

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