UCSF

ZINC43898937

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 4.59 -40.24 2 4 1 38 279.404 6
Hi High (pH 8-9.5) 2.45 2.93 -4.12 1 4 0 34 278.396 6
Lo Low (pH 4.5-6) 2.45 6.42 -122.85 3 4 2 40 280.412 6

Activity (Go SEA)

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