UCSF

ZINC05937014

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2006 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) 0.03 3.59 -20.25 2 6 0 84 312.373 8
Lo Low (pH 4.5-6) 0.03 4.14 -86.03 4 6 2 86 314.389 8
Lo Low (pH 4.5-6) 0.03 3.86 -48.54 3 6 1 85 313.381 8

Activity (Go SEA)

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