UCSF

ZINC26672222

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2009 30 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) 0.51 5.98 -61.73 2 7 -1 101 428.362 5
Mid Mid (pH 6-8) 0.51 6.22 -89.39 3 7 0 102 429.37 5
Mid Mid (pH 6-8) -2.23 5.02 -26.57 3 7 0 104 429.37 4

Activity (Go SEA)

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