UCSF

ZINC42465797

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) -0.76 0.9 -40.57 3 4 1 57 187.263 3
Hi High (pH 8-9.5) -0.76 0.57 -8.16 2 4 0 56 186.255 3

Activity (Go SEA)

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