UCSF

ZINC42780564

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 2.05 9.15 -40.73 1 4 1 44 247.366 6
Hi High (pH 8-9.5) 2.05 6.69 -6.09 0 4 0 43 246.358 6

Activity (Go SEA)

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