UCSF

ZINC06444433

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2006 33 No

Other Names:

MFCD02233101

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) 4.81 9.33 -25.77 3 6 0 88 446.547 4
Mid Mid (pH 6-8) 4.95 -2.68 -13.87 2 6 0 87 446.547 4

Activity (Go SEA)

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