UCSF

ZINC17299445

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2008 28 No

Other Names:

MFCD00601688

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) 6.16 14.28 -10.98 0 3 0 33 370.496 7
Ref Reference (pH 7) 6.16 13.18 -8.67 0 3 0 33 370.496 7
Lo Low (pH 4.5-6) 6.16 13.32 -24.83 1 3 0 34 371.504 7
Lo Low (pH 4.5-6) 6.16 14.42 -34.23 1 3 0 34 371.504 7

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.