UCSF

ZINC04453178

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 21 No

Other Names:

MFCD03884245

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) 2.48 -2.91 -11.94 2 4 0 66 299.351 3
Mid Mid (pH 6-8) 1.90 -3.03 -18.34 1 4 0 63 299.351 3

Activity (Go SEA)

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