UCSF

ZINC39847753

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 38 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 5.46 12.67 -64.5 0 6 -1 83 505.594 7
Lo Low (pH 4.5-6) 5.46 11.92 -16.51 1 6 0 80 506.602 7

Activity (Go SEA)

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