UCSF

ZINC42699027

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 28 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) 4.04 9.04 -45.52 2 6 1 61 387.5 10
Hi High (pH 8-9.5) 4.04 6.58 -9.19 1 6 0 60 386.492 10

Activity (Go SEA)

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