UCSF

ZINC42430587

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 18 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) -0.69 2.08 -82.95 3 6 0 89 257.334 8
Lo Low (pH 4.5-6) -0.69 4.34 -150.24 4 6 1 90 258.342 8

Activity (Go SEA)

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