UCSF

ZINC60942507

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2011 18 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) 2.22 6.41 -52.81 0 4 -1 56 247.318 2
Mid Mid (pH 6-8) 2.22 4.42 -28.32 1 4 0 58 248.326 2
Mid Mid (pH 6-8) 2.22 5.4 -9.88 1 4 0 53 248.326 2

Activity (Go SEA)

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