UCSF

ZINC41681646

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 1.56 6.34 -92.81 3 3 2 24 229.412 10
Hi High (pH 8-9.5) 1.56 3.87 -38.22 2 3 1 23 228.404 10
Lo Low (pH 4.5-6) 1.56 8.46 -210.27 4 3 3 25 230.42 10

Activity (Go SEA)

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