UCSF

ZINC45350645

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 32 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) 6.18 9.09 -12.65 2 6 0 88 467.616 4
Hi High (pH 8-9.5) 6.64 7.02 -48.41 1 6 -1 91 466.608 4

Activity (Go SEA)

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