UCSF

ZINC37824024

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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 1.8 -88.4 4 5 2 56 244.383 5
Hi High (pH 8-9.5) -1.08 1.41 -41.05 3 5 1 54 243.375 5
Lo Low (pH 4.5-6) -1.08 4.26 -168.78 5 5 3 57 245.391 5
Lo Low (pH 4.5-6) -1.08 1.87 -95.52 4 5 2 56 244.383 5

Activity (Go SEA)

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