UCSF

ZINC31909924

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 25 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) 2.69 7.81 -12.41 1 5 0 42 334.423 3
Mid Mid (pH 6-8) 2.69 8.22 -28.35 2 5 1 43 335.431 3
Lo Low (pH 4.5-6) 2.69 9.58 -91.7 3 5 2 44 336.439 3

Activity (Go SEA)

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