UCSF

ZINC42820234

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 13 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) -0.65 -2.14 -40.06 4 4 1 66 190.263 5
Hi High (pH 8-9.5) -0.65 -3.48 -6.16 3 4 0 62 189.255 5

Activity (Go SEA)

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