UCSF

ZINC42172237

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 14 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) 2.45 5.78 -108.09 4 2 2 33 198.354 4
Hi High (pH 8-9.5) 2.45 4.41 -37.03 3 2 1 29 197.346 4

Activity (Go SEA)

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