UCSF

ZINC07184981

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2006 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) 3.61 7.88 -8.82 1 4 0 55 326.783 4
Lo Low (pH 4.5-6) 3.61 8.16 -40.91 2 4 1 56 327.791 4

Activity (Go SEA)

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