UCSF

ZINC39327464

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 29 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) 5.00 8.64 -10.43 3 5 0 81 402.523 4
Lo Low (pH 4.5-6) 5.00 8.97 -32.79 4 5 1 82 403.531 4

Activity (Go SEA)

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