UCSF

ZINC36232559

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) -0.47 0.74 -45.04 3 4 1 57 187.263 1
Hi High (pH 8-9.5) -0.47 0.41 -7.75 2 4 0 56 186.255 1

Activity (Go SEA)

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