UCSF

ZINC33690774

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 40 Yes

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) 6.83 19.08 -12.61 0 4 0 28 527.712 7
Lo Low (pH 4.5-6) 6.83 20.81 -48.46 1 4 1 30 528.72 7

Activity (Go SEA)

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