UCSF

ZINC16384159

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2008 12 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) 1.32 -4.45 -11.2 4 5 0 93 169.136 1
Lo Low (pH 4.5-6) -0.55 -1.89 -22.31 4 5 0 90 169.136 1

Activity (Go SEA)

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