UCSF

ZINC04894151

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2006 21 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 4.35 -12.67 5 6 0 107 303.391 4
Lo Low (pH 4.5-6) 2.51 4.82 -103.4 7 6 2 109 305.407 4
Lo Low (pH 4.5-6) 2.51 4.51 -37.41 6 6 1 108 304.399 4

Activity (Go SEA)

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