UCSF

ZINC55291913

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2010 23 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) 4.48 11.24 -39.17 2 2 1 16 374.346 6
Mid Mid (pH 6-8) 4.48 10.25 -36.46 2 2 1 20 374.346 6

Activity (Go SEA)

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