UCSF

ZINC43411401

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) 2.19 5.94 -116.58 4 3 2 41 317.271 6
Mid Mid (pH 6-8) 2.19 4.73 -33.79 3 3 1 37 316.263 6

Activity (Go SEA)

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