UCSF

ZINC48383491

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2010 25 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) 2.93 7.33 -60.97 2 7 -1 108 347.391 7
Lo Low (pH 4.5-6) 2.93 5.29 -16.7 3 7 0 105 348.399 7

Activity (Go SEA)

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