UCSF

ZINC35550611

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 39 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 6.74 18.32 -12.8 0 5 0 49 512.657 5
Lo Low (pH 4.5-6) 6.74 18.64 -37.71 1 5 1 51 513.665 5

Activity (Go SEA)

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