UCSF

ZINC43898940

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 20 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 4.23 -44.67 2 4 1 38 279.404 6
Hi High (pH 8-9.5) 2.45 4.2 -4.43 1 4 0 34 278.396 6
Lo Low (pH 4.5-6) 2.45 6.2 -115.13 3 4 2 40 280.412 6

Activity (Go SEA)

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