UCSF

ZINC16693880

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 22 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) 2.99 7.61 -22.89 1 5 0 75 380.629 2
Hi High (pH 8-9.5) 3.51 6.58 -34.09 0 5 -1 81 379.621 2

Activity (Go SEA)

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