UCSF

ZINC05045068

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2006 23 Yes

Other Names:

MFCD02904744

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) 4.96 7.76 -46.92 0 4 -1 58 323.397 6
Mid Mid (pH 6-8) 4.51 8.86 -11.45 1 4 0 55 324.405 6

Activity (Go SEA)

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