UCSF

ZINC41730739

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 16 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) -0.61 4.07 -43.83 4 4 1 61 217.296 1
Hi High (pH 8-9.5) -0.61 3.76 -6.51 3 4 0 60 216.288 1

Activity (Go SEA)

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