UCSF

ZINC43698522

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 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) 3.05 7.46 -37.85 2 2 1 25 264.414 2
Hi High (pH 8-9.5) 3.05 6.14 -6.84 1 2 0 23 263.406 2

Activity (Go SEA)

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