UCSF

ZINC37112582

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 3.14 7.74 -116.43 4 2 2 32 250.43 6
Mid Mid (pH 6-8) 3.14 6.27 -44.8 3 2 1 31 249.422 6
Mid Mid (pH 6-8) 3.14 7.98 -26.56 3 2 1 30 249.422 6

Activity (Go SEA)

Rings

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