UCSF

ZINC04731324

Substance Information

In ZINC since Heavy atoms Benign functionality
January 1st, 2006 26 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) 4.39 11.95 -55.36 0 4 -1 66 361.502 3
Lo Low (pH 4.5-6) 4.39 9.98 -9.71 1 4 0 64 362.51 3

Activity (Go SEA)

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