UCSF

ZINC33674981

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 36 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) 2.01 9.51 -49.46 0 9 -1 109 483.504 7
Lo Low (pH 4.5-6) 2.01 8.36 -23.36 1 9 0 106 484.512 7

Activity (Go SEA)

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