UCSF

ZINC08834459

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 27 No

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) 4.15 5.63 -46.43 0 6 -1 84 448.68 3
Lo Low (pH 4.5-6) 3.69 8.07 -9.46 1 6 0 81 449.688 3

Activity (Go SEA)

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