UCSF

ZINC43479257

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 20 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) 4.52 8.07 -27.85 3 2 0 37 292.83 3
Hi High (pH 8-9.5) 4.52 8.84 -54.36 2 2 0 40 291.822 3

Activity (Go SEA)

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