UCSF

ZINC66171847

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 23 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) 3.96 9.29 -44.19 2 3 1 35 332.851 7
Mid Mid (pH 6-8) 3.96 7.93 -7.08 1 3 0 30 331.843 7

Activity (Go SEA)

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