UCSF

ZINC31975552

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 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) 3.85 8.2 -59.9 3 3 1 45 286.786 2
Hi High (pH 8-9.5) 3.85 7.9 -10.41 2 3 0 43 285.778 2
Lo Low (pH 4.5-6) 3.85 8.6 -109.56 4 3 2 46 287.794 2

Activity (Go SEA)

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