UCSF

ZINC43893470

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 21 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) 1.90 5.73 -39.95 2 4 1 42 286.399 7
Hi High (pH 8-9.5) 1.90 4.76 -6.04 1 4 0 37 285.391 7
Lo Low (pH 4.5-6) 1.90 7.67 -129.06 3 4 2 43 287.407 7
Lo Low (pH 4.5-6) 1.90 6.2 -92.86 3 4 2 43 287.407 7

Activity (Go SEA)

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