UCSF

ZINC16688756

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 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) 0.85 2.19 -8.39 3 5 0 86 264.306 3
Hi High (pH 8-9.5) 1.31 0.42 -39.44 2 5 -1 89 263.298 3
Hi High (pH 8-9.5) 1.36 1.16 -42.2 2 5 -1 83 263.298 3

Activity (Go SEA)

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