UCSF

ZINC29010049

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2009 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) 1.92 4.35 -54 2 7 -1 108 345.375 5
Lo Low (pH 4.5-6) 1.92 3.22 -13.6 3 7 0 105 346.383 5

Activity (Go SEA)

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