UCSF

ZINC27524840

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2009 24 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) 1.01 8.54 -59.92 0 5 -1 65 349.769 3
Mid Mid (pH 6-8) -1.73 7.58 -22.87 1 5 0 68 350.777 2

Activity (Go SEA)

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