UCSF

ZINC39891839

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 25 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) 1.26 3.7 -17.36 0 7 0 89 352.375 4
Lo Low (pH 4.5-6) 1.26 4.19 -50.87 1 7 1 90 353.383 4
Lo Low (pH 4.5-6) 1.26 4.18 -50.93 1 7 1 90 353.383 4

Activity (Go SEA)

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