UCSF

ZINC31918018

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 24 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) 3.22 10.38 -43.1 3 4 1 48 321.448 3
Hi High (pH 8-9.5) 3.22 8 -11.39 2 4 0 47 320.44 3
Lo Low (pH 4.5-6) 3.22 10.79 -91.73 4 4 2 49 322.456 3

Activity (Go SEA)

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