UCSF

ZINC04178620

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 23 Yes

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) -0.01 9.17 -200.71 0 7 -3 130 321.305 10
Lo Low (pH 4.5-6) -0.01 7.18 -122.37 1 7 -2 127 322.313 10
Lo Low (pH 4.5-6) -0.01 5.32 -52.01 2 7 -1 124 323.321 10

Activity (Go SEA)

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