UCSF

ZINC18222288

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2008 24 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) 3.11 9.51 -27.88 2 5 0 71 317.348 2
Hi High (pH 8-9.5) 4.02 7.04 -142.18 0 5 -2 77 315.332 2
Hi High (pH 8-9.5) 3.56 8.34 -62.03 1 5 -1 74 316.34 2

Activity (Go SEA)

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