UCSF

ZINC28813849

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 20 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) 1.25 0.5 -16.74 3 7 0 100 275.312 4
Hi High (pH 8-9.5) 1.25 0.37 -44.85 2 7 -1 98 274.304 4

Activity (Go SEA)

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