UCSF

ZINC42821643

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 13 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) 0.22 0.56 -43.34 3 3 1 40 185.291 2
Lo Low (pH 4.5-6) 0.22 3.13 -109.77 4 3 2 41 186.299 2
Lo Low (pH 4.5-6) 0.22 2.84 -29.38 3 3 1 40 185.291 2

Activity (Go SEA)

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