UCSF

ZINC20139689

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 1.86 6.59 -60.53 2 2 1 29 235.257 4
Hi High (pH 8-9.5) 1.86 5.17 -7.73 1 2 0 25 234.249 4

Activity (Go SEA)

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