UCSF

ZINC17723252

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2008 17 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) 1.87 3.92 -13.48 3 5 0 69 248.311 4
Hi High (pH 8-9.5) 2.33 1.84 -42.83 2 5 -1 72 247.303 4

Activity (Go SEA)

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