UCSF

ZINC48292160

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 23 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) 4.59 6.21 -9.87 2 4 0 53 330.815 3
Hi High (pH 8-9.5) 4.59 7.06 -48.52 1 4 -1 55 329.807 3

Activity (Go SEA)

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