UCSF

ZINC13124318

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 18 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) 4.47 3.12 -12.14 1 4 0 62 260.68 3
Hi High (pH 8-9.5) 4.47 5.49 -41.58 0 4 -1 65 259.672 3
Mid Mid (pH 6-8) 4.47 6.73 -48.27 0 4 -1 65 259.672 3

Activity (Go SEA)

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