UCSF

ZINC39870186

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 28 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) 4.29 8.77 -50.79 0 7 -1 92 392.416 4
Lo Low (pH 4.5-6) 4.29 9.34 -13.64 1 7 0 90 393.424 4

Activity (Go SEA)

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