UCSF

ZINC28273305

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 23 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) 2.17 3.08 -50.14 1 7 -1 96 328.274 5
Lo Low (pH 4.5-6) 1.72 3.89 -17.69 2 7 0 93 329.282 5

Activity (Go SEA)

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