UCSF

ZINC37094656

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) 3.19 8.01 -121.55 4 2 2 32 250.43 6
Mid Mid (pH 6-8) 3.19 7.97 -48.72 3 2 1 31 249.422 6
Mid Mid (pH 6-8) 3.19 6.57 -29.35 3 2 1 30 249.422 6

Activity (Go SEA)

Rings

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