UCSF

ZINC42459410

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.28 2.73 -36.23 2 3 1 29 201.334 6
Mid Mid (pH 6-8) 1.28 5.08 -100.5 3 3 2 30 202.342 6

Activity (Go SEA)

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