UCSF

ZINC19502380

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 15 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) 1.57 2.85 -15.68 3 3 0 51 235.234 4
Lo Low (pH 4.5-6) 1.57 3.32 -52 4 3 1 52 236.242 4

Activity (Go SEA)

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