UCSF

ZINC22015876

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 17 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) 1.08 3.85 -38.58 2 4 1 46 235.307 4
Hi High (pH 8-9.5) 1.08 2.44 -6.13 1 4 0 42 234.299 4
Lo Low (pH 4.5-6) 1.08 4.74 -34.28 2 4 1 43 235.307 4

Activity (Go SEA)

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