UCSF

ZINC16447897

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2008 34 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) 5.54 11.26 -15.39 2 5 0 69 473.573 5
Hi High (pH 8-9.5) 5.54 12.09 -39.02 1 5 -1 72 472.565 5

Activity (Go SEA)

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