UCSF

ZINC37872158

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 12 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) 1.52 2.58 -33.85 3 2 1 37 168.26 2
Mid Mid (pH 6-8) 1.52 1.37 -3.49 2 2 0 32 167.252 2

Activity (Go SEA)

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