UCSF

ZINC14869431

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2008 24 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) 2.72 3.99 -13.19 2 5 0 75 358.341 5
Hi High (pH 8-9.5) 2.72 4.03 -50.11 1 5 -1 77 357.333 5

Activity (Go SEA)

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