UCSF

ZINC33757244

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 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) 1.77 8.26 -56.68 0 8 -1 105 433.44 8
Lo Low (pH 4.5-6) 1.77 6.96 -23.02 1 8 0 102 434.448 8

Activity (Go SEA)

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