UCSF

ZINC66146934

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 13 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) 2.10 6.78 -104.37 3 2 2 21 186.343 4
Mid Mid (pH 6-8) 2.10 5 -28.65 2 2 1 20 185.335 4

Activity (Go SEA)

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