UCSF

ZINC52294235

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 15 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) 0.46 5.54 -119.81 5 2 2 44 206.333 5
Hi High (pH 8-9.5) 0.46 4.27 -44 4 2 1 40 205.325 5
Hi High (pH 8-9.5) 0.46 5.25 -35.19 4 2 1 43 205.325 5

Activity (Go SEA)

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