UCSF

ZINC44679409

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 0.97 4.59 -78.37 5 3 2 44 227.396 8
Hi High (pH 8-9.5) 0.97 2.11 -40.91 4 3 1 43 226.388 8
Lo Low (pH 4.5-6) 0.97 5.72 -169.42 6 3 3 49 228.404 8
Lo Low (pH 4.5-6) 0.97 3.22 -92.37 5 3 2 47 227.396 8

Activity (Go SEA)

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