UCSF

ZINC05175694

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2006 28 Yes

Other Names:

MFCD01027275

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) 5.98 11.67 -13.69 1 4 0 51 366.42 2
Mid Mid (pH 6-8) 5.73 10.71 -41.58 0 4 -1 57 365.412 1

Activity (Go SEA)

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