UCSF

ZINC39105520

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 14 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) 0.23 2.99 -7.96 0 4 0 34 206.171 1
Mid Mid (pH 6-8) 0.23 5.36 -51.85 1 4 1 35 207.179 1

Activity (Go SEA)

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