UCSF

ZINC22778419

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) 2.96 8.82 -52.99 2 4 1 37 360.428 5
Mid Mid (pH 6-8) 2.96 6.35 -10.69 1 4 0 36 359.42 5

Activity (Go SEA)

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