UCSF

ZINC71126614

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2011 19 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) 4.41 9.07 -29.78 2 2 1 29 281.489 5
Hi High (pH 8-9.5) 4.41 8.22 -2.91 1 2 0 25 280.481 5

Activity (Go SEA)

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