UCSF

ZINC26509432

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 25 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) 0.19 0.87 -55.06 4 7 1 92 351.423 10
Mid Mid (pH 6-8) 0.19 2.65 -46.09 4 7 1 92 351.423 10

Activity (Go SEA)

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