UCSF

ZINC50224254

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2010 20 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) 0.34 3.54 -59 4 6 1 87 274.348 4
Hi High (pH 8-9.5) 0.34 3.14 -18.98 3 6 0 86 273.34 4

Activity (Go SEA)

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