UCSF

ZINC22587459

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 25 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) 6.56 12.17 -100.36 4 3 2 36 357.671 21
Hi High (pH 8-9.5) 6.56 10.84 -38.83 3 3 1 32 356.663 21
Lo Low (pH 4.5-6) 6.56 14.25 -225.21 5 3 3 38 358.679 21

Activity (Go SEA)

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