UCSF

ZINC40287399

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 25 No

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) 1.37 5.18 -11.97 2 6 0 79 357.797 4
Hi High (pH 8-9.5) 1.56 3.89 -60.47 1 6 -1 85 356.789 4

Activity (Go SEA)

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