UCSF

ZINC19864035

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 12 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) 0.92 2.84 -99.77 4 3 2 41 176.304 7
Hi High (pH 8-9.5) 0.92 1.27 -31.62 3 3 1 37 175.296 7

Activity (Go SEA)

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