UCSF

ZINC13126524

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 19 No

Other Names:

MFCD01464656

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) 4.29 5.36 -7.92 1 3 0 42 255.317 4
Ref Reference (pH 7) 4.29 5.85 -7.75 1 3 0 42 255.317 4
Hi High (pH 8-9.5) 4.29 6.62 -50.41 0 3 -1 45 254.309 4
Lo Low (pH 4.5-6) 4.29 5.72 -28.42 2 3 1 43 256.325 4

Activity (Go SEA)

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