UCSF

ZINC20357684

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 14 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) -0.43 0.78 -99.67 5 4 2 60 194.282 2
Hi High (pH 8-9.5) -0.43 0.4 -44.01 4 4 1 59 193.274 2
Hi High (pH 8-9.5) -0.43 -0.64 -51.89 4 4 1 56 193.274 2

Activity (Go SEA)

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