UCSF

ZINC55669605

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2010 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 3.31 6.75 -14.35 0 5 0 50 364.442 4
Lo Low (pH 4.5-6) 3.31 7.24 -44.41 1 5 1 51 365.45 4

Activity (Go SEA)

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