UCSF

ZINC20191849

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 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) 1.82 5.02 -42.63 2 3 1 35 244.38 9
Hi High (pH 8-9.5) 1.82 3.59 -6.35 1 3 0 30 243.372 9

Activity (Go SEA)

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