UCSF

ZINC31972231

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 23 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) -0.19 1.22 -55.92 2 8 -1 119 321.309 7
Lo Low (pH 4.5-6) -0.19 0.1 -20.73 3 8 0 116 322.317 7

Activity (Go SEA)

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