UCSF

ZINC04381671

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 2.51 7.27 -13.33 1 4 0 51 329.4 6
Mid Mid (pH 6-8) 2.51 7.72 -32.94 2 4 1 52 330.408 6
Lo Low (pH 4.5-6) 2.51 7.55 -45.81 2 4 1 52 330.408 6
Lo Low (pH 4.5-6) 2.51 8 -86.82 3 4 2 53 331.416 6

Activity (Go SEA)

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