UCSF

ZINC15013265

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 21 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) 5.08 8.36 -6.81 1 3 0 45 318.398 2
Hi High (pH 8-9.5) 5.54 6.81 -37.89 0 3 -1 48 317.39 2
Hi High (pH 8-9.5) 5.54 6.14 -39.28 0 3 -1 48 317.39 2

Activity (Go SEA)

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