UCSF

ZINC39267678

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 32 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) 1.91 6.54 -21.08 5 10 0 135 439.52 6
Mid Mid (pH 6-8) 1.91 7.18 -34.63 6 10 1 136 440.528 6
Mid Mid (pH 6-8) 1.91 6.17 -34.57 6 10 1 136 440.528 6

Activity (Go SEA)

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