UCSF

ZINC44518552

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 20 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) 2.42 7.25 -104.58 4 3 2 41 298.858 6
Hi High (pH 8-9.5) 2.42 5.97 -34.27 3 3 1 37 297.85 6

Activity (Go SEA)

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