UCSF

ZINC61818306

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 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) 2.71 7.78 -119.36 4 2 2 32 248.414 3
Mid Mid (pH 6-8) 2.71 7.43 -32.23 3 2 1 30 247.406 3
Mid Mid (pH 6-8) 2.71 5.9 -42.64 3 2 1 31 247.406 3

Activity (Go SEA)

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