UCSF

ZINC11632278

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2008 16 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) -1.47 -4.53 -52.13 3 5 1 70 222.268 3
Lo Low (pH 4.5-6) -1.47 -4.47 -98.32 4 5 2 71 223.276 3

Activity (Go SEA)

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