UCSF

ZINC04313065

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 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) 3.19 10.5 -11.65 0 6 0 63 385.423 3
Ref Reference (pH 7) 3.19 10.56 -11.27 0 6 0 63 385.423 3
Lo Low (pH 4.5-6) 3.19 11.08 -45.64 1 6 1 64 386.431 3
Lo Low (pH 4.5-6) 3.19 11.02 -44.04 1 6 1 64 386.431 3

Activity (Go SEA)

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