UCSF

ZINC13127543

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 33 No

Download: MOL2 SDF SMILES Flexibase

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) 2.67 10.54 -66.54 2 8 0 107 453.539 10
Hi High (pH 8-9.5) 2.67 8.34 -54.14 1 8 -1 106 452.531 10
Lo Low (pH 4.5-6) 2.76 10.02 -50.45 2 8 1 101 454.547 10

Activity (Go SEA)

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