UCSF

ZINC43893951

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) 1.68 5.32 -43.89 2 4 1 42 284.383 4
Hi High (pH 8-9.5) 1.68 4.4 -5.71 1 4 0 37 283.375 4
Lo Low (pH 4.5-6) 1.68 5.78 -97.41 3 4 2 43 285.391 4

Activity (Go SEA)

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