UCSF

ZINC21948793

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 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) 1.43 7.14 -106.91 3 3 2 34 224.348 4
Hi High (pH 8-9.5) 1.43 5.03 -39.7 2 3 1 33 223.34 4
Hi High (pH 8-9.5) 1.43 5.72 -36.35 2 3 1 30 223.34 4

Activity (Go SEA)

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