UCSF

ZINC34679199

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 31 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) 2.68 12.77 -17.46 0 8 0 71 423.517 5
Lo Low (pH 4.5-6) 2.68 13.04 -42.38 1 8 1 72 424.525 5

Activity (Go SEA)

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