UCSF

ZINC41679989

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) -0.09 1.66 -46.99 3 5 1 72 189.235 7
Hi High (pH 8-9.5) -0.09 0.22 -13.33 2 5 0 67 188.227 7

Activity (Go SEA)

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