UCSF

ZINC41197099

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 21 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) 3.96 9.01 -31.97 2 2 1 29 301.479 4
Hi High (pH 8-9.5) 3.96 8.29 -6.54 1 2 0 25 300.471 4

Activity (Go SEA)

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