UCSF

ZINC41198137

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 20 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) 2.61 7.29 -33.97 2 3 1 42 288.44 4
Mid Mid (pH 6-8) 2.61 6.27 -7.17 1 3 0 38 287.432 4

Activity (Go SEA)

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