UCSF

ZINC29484937

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 32 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) 5.27 9.21 -18.77 1 6 0 67 442.441 5
Lo Low (pH 4.5-6) 5.27 9.61 -46.1 2 6 1 69 443.449 5

Activity (Go SEA)

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