UCSF

ZINC31976918

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 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) -0.78 -2.26 -40.94 5 5 1 89 186.235 3
Hi High (pH 8-9.5) -0.78 -3.49 -13.23 4 5 0 84 185.227 3

Activity (Go SEA)

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