UCSF

ZINC31908221

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 33 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) 3.16 9.03 -10.92 2 9 0 94 468.993 7
Mid Mid (pH 6-8) 3.16 11.33 -40.28 3 9 1 95 470.001 7

Activity (Go SEA)

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