UCSF

ZINC25147825

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 28 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) 2.85 6.85 -21.14 2 7 0 85 380.448 9
Lo Low (pH 4.5-6) 2.85 7.25 -39.02 3 7 1 87 381.456 9

Activity (Go SEA)

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