UCSF

ZINC20139677

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 16 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) 1.75 6.54 -53.33 2 2 1 29 217.267 4
Hi High (pH 8-9.5) 1.75 5.12 -5.79 1 2 0 25 216.259 4

Activity (Go SEA)

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