UCSF

ZINC17992424

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 26 No

Other Names:

MFCD04092182

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) 3.03 6.77 -18.09 0 5 0 67 386.498 2
Ref Reference (pH 7) 3.03 7.37 -17.34 0 5 0 67 386.498 2
Lo Low (pH 4.5-6) 3.03 8.26 -36.92 1 5 1 68 387.506 2

Activity (Go SEA)

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