UCSF

ZINC38523785

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 14 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) 0.49 0.26 -8.73 1 4 0 42 198.266 4
Mid Mid (pH 6-8) 0.49 2.56 -42.5 2 4 1 43 199.274 4

Activity (Go SEA)

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