UCSF

ZINC30964897

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2009 29 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) 2.50 6.55 -12.81 0 6 0 39 414.575 6
Lo Low (pH 4.5-6) 2.50 8.77 -50.13 1 6 1 40 415.583 6

Activity (Go SEA)

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