UCSF

ZINC31720028

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2009 12 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) -4.20 4.69 -28.05 1 6 0 68 166.188 2
Lo Low (pH 4.5-6) -4.20 4.67 -36.96 2 6 1 69 167.196 2

Activity (Go SEA)

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