UCSF

ZINC41727000

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 18 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) 1.46 8.16 -41.9 3 2 1 33 306.227 1
Hi High (pH 8-9.5) 1.46 7.84 -3.41 2 2 0 31 305.219 1

Activity (Go SEA)

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