UCSF

ZINC37079744

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 2.72 6.58 -109.86 4 2 2 32 228.424 8
Mid Mid (pH 6-8) 2.72 4.89 -41.48 3 2 1 31 227.416 8

Activity (Go SEA)

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