UCSF

ZINC31946483

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 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) 0.99 4.77 -17.65 2 6 0 70 319.434 5
Mid Mid (pH 6-8) 0.99 6.14 -63.52 3 6 1 75 320.442 5

Activity (Go SEA)

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