UCSF

ZINC27756828

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2009 19 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) 0.27 6.72 -130.11 0 6 -2 101 269.297 6
Lo Low (pH 4.5-6) 0.27 5.59 -57.69 1 6 -1 98 270.305 6

Activity (Go SEA)

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