UCSF

ZINC20365701

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 20 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) 2.18 8.57 -92.41 3 4 2 41 287.492 11
Hi High (pH 8-9.5) 2.18 7.59 -33.03 2 4 1 37 286.484 11

Activity (Go SEA)

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