UCSF

ZINC48383501

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2010 24 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) 1.93 6.68 -62.32 2 6 -1 98 327.36 5
Lo Low (pH 4.5-6) 1.93 4.95 -16.97 3 6 0 95 328.368 5

Activity (Go SEA)

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