UCSF

ZINC37179962

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 18 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) 3.31 7.98 -124.56 4 2 2 32 250.43 7
Mid Mid (pH 6-8) 3.31 8.47 -28.09 3 2 1 30 249.422 7
Mid Mid (pH 6-8) 3.31 6.69 -45.46 3 2 1 31 249.422 7

Activity (Go SEA)

Rings

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