UCSF

ZINC20934782

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 24 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) 2.34 5.5 -57.61 3 5 1 65 332.42 10
Hi High (pH 8-9.5) 2.34 4.09 -12.73 2 5 0 60 331.412 10

Activity (Go SEA)

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