UCSF

ZINC22209383

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 16 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) 2.18 5.76 -48.76 3 3 1 44 220.34 3
Hi High (pH 8-9.5) 2.18 5.64 -26.91 3 3 1 43 220.34 3
Hi High (pH 8-9.5) 2.18 5.38 -5.02 2 3 0 42 219.332 3

Activity (Go SEA)

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