UCSF

ZINC35018900

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 3.62 10.63 -54.06 2 2 1 40 330.249 5
Mid Mid (pH 6-8) 3.62 9.4 -5.85 1 2 0 36 329.241 5

Activity (Go SEA)

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