UCSF

ZINC66213823

Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 2011 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) 2.74 7.79 -46.66 2 3 1 37 247.362 5
Hi High (pH 8-9.5) 2.74 6.42 -9.09 1 3 0 32 246.354 5

Activity (Go SEA)

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