UCSF

ZINC12843743

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2008 25 No

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) 3.38 9.81 -9.5 1 5 0 63 353.447 5
Hi High (pH 8-9.5) 3.91 8.72 -47.26 0 5 -1 65 352.439 6
Lo Low (pH 4.5-6) 3.91 9.94 -32.51 2 5 1 65 354.455 6

Activity (Go SEA)

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