UCSF

ZINC20595585

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 16 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) 2.36 5.71 -98.34 5 3 2 56 262.184 5
Mid Mid (pH 6-8) -0.55 5.7 -25.78 5 3 1 56 261.176 5
Mid Mid (pH 6-8) 2.36 3.29 -33.76 4 3 1 55 261.176 5

Activity (Go SEA)

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