UCSF

ZINC34610484

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 19 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) 0.02 7.06 -80.91 3 5 -1 108 270.349 8
Hi High (pH 8-9.5) 0.02 6.72 -98.22 2 5 -2 106 269.341 8
Lo Low (pH 4.5-6) 0.02 5.08 -40.43 4 5 0 105 271.357 8

Activity (Go SEA)

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