UCSF

ZINC31920630

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 3.24 5.58 -11.38 1 4 0 47 288.734 3
Lo Low (pH 4.5-6) 3.24 5.99 -30.66 2 4 1 48 289.742 3

Activity (Go SEA)

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