UCSF

ZINC01218730

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2004 26 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) 4.56 8.81 -8.94 1 4 0 59 374.55 7
Lo Low (pH 4.5-6) 4.56 9.08 -40.8 2 4 1 60 375.558 7

Activity (Go SEA)

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