UCSF

ZINC39781776

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2010 16 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) 2.34 8.26 -115.11 3 2 2 21 220.36 4
Mid Mid (pH 6-8) 2.34 6.91 -28.89 2 2 1 16 219.352 4

Activity (Go SEA)

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