UCSF

ZINC41161450

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 17 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) 2.09 5.53 -7.28 2 4 0 54 228.299 3
Lo Low (pH 4.5-6) 2.09 6.26 -31.29 3 4 1 55 229.307 3

Activity (Go SEA)

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