UCSF

ZINC49320696

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 18 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) 0.22 4.87 -10.65 2 7 0 85 251.29 2
Mid Mid (pH 6-8) 0.22 5.32 -34.55 3 7 1 86 252.298 2
Mid Mid (pH 6-8) 0.22 5.24 -34.62 3 7 1 86 252.298 2

Activity (Go SEA)

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