UCSF

ZINC39348786

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 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) 1.79 6.79 -71.43 1 5 -1 82 246.242 2
Mid Mid (pH 6-8) 1.79 7.79 -144.24 0 5 -2 85 245.234 2
Lo Low (pH 4.5-6) 1.79 6 -33.41 2 5 0 86 247.25 2

Activity (Go SEA)

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