UCSF

ZINC46834797

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2010 23 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) 2.42 5.74 -51.88 1 6 -1 95 315.349 6
Lo Low (pH 4.5-6) 2.42 3.76 -16.43 2 6 0 92 316.357 6

Activity (Go SEA)

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