UCSF

ZINC20365791

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 13 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) 1.85 3.64 -37.46 3 3 1 46 187.307 7
Hi High (pH 8-9.5) 1.85 2.39 -8.94 2 3 0 41 186.299 7

Activity (Go SEA)

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