UCSF

ZINC45255660

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 22 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) 3.99 5.76 -9.94 1 4 0 56 298.338 5
Hi High (pH 8-9.5) 3.99 6.53 -52.32 0 4 -1 59 297.33 5

Activity (Go SEA)

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