UCSF

ZINC41226422

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 15 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.22 7.06 -31.81 1 2 1 8 213.389 6
Mid Mid (pH 6-8) 3.22 9.39 -108.79 2 2 2 9 214.397 6
Mid Mid (pH 6-8) 3.22 7.56 -33.44 1 2 1 8 213.389 6

Activity (Go SEA)

Rings

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