UCSF

ZINC43398538

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 2.90 8.71 -22.14 2 4 0 57 296.399 2
Lo Low (pH 4.5-6) 2.90 9.2 -30.87 3 4 1 58 297.407 2

Activity (Go SEA)

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