UCSF

ZINC36222014

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 20 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) 4.49 10.48 -24.09 3 3 1 45 266.368 2
Mid Mid (pH 6-8) 4.49 10.08 -10.6 2 3 0 43 265.36 2

Activity (Go SEA)

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