UCSF

ZINC21044655

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 21 No

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) 2.49 8.1 -43.41 2 6 1 72 296.391 10
Mid Mid (pH 6-8) 2.49 7.37 -59.51 2 6 1 75 296.391 10

Activity (Go SEA)

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