UCSF

ZINC29708656

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2009 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) 1.61 5.58 -14.3 1 6 0 75 392.253 4
Lo Low (pH 4.5-6) 1.61 6.03 -50.74 2 6 1 77 393.261 4

Activity (Go SEA)

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