UCSF

ZINC20382002

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 17 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) 1.93 4.47 -35.76 4 4 1 55 237.371 6
Hi High (pH 8-9.5) 1.93 2.43 -5.46 3 4 0 54 236.363 6

Activity (Go SEA)

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