UCSF

ZINC31918242

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) 3.69 10.33 -36.67 3 4 1 48 321.448 3
Hi High (pH 8-9.5) 3.69 8.13 -11.69 2 4 0 47 320.44 3
Lo Low (pH 4.5-6) 3.69 10.75 -84.31 4 4 2 49 322.456 3

Activity (Go SEA)

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