UCSF

ZINC20217826

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) 0.03 5.59 -102.43 3 4 2 41 227.352 1
Hi High (pH 8-9.5) 0.03 3.59 -51.54 2 4 1 40 226.344 1

Activity (Go SEA)

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