UCSF

ZINC42913253

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 21 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) 2.36 2.49 -44.78 4 3 1 51 295.422 6
Hi High (pH 8-9.5) 2.36 4.5 -34.84 4 3 1 51 295.422 6

Activity (Go SEA)

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