UCSF

ZINC42952382

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 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) 2.47 2.16 -44.72 4 3 1 51 342.301 5
Hi High (pH 8-9.5) 2.47 4.14 -32.9 4 3 1 51 342.301 5

Activity (Go SEA)

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