UCSF

ZINC05163899

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2006 28 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) 3.49 5.38 -9.57 3 6 0 97 376.391 4
Lo Low (pH 4.5-6) 3.49 5.7 -60.93 4 6 1 99 377.399 4

Activity (Go SEA)

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