UCSF

ZINC00751877

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 27 Yes

Other Names:

MFCD01540907

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) 4.97 -2.92 -13.74 1 5 0 76 448.338 3
Hi High (pH 8-9.5) 4.97 -2.34 -49.5 0 5 -1 78 447.33 3

Activity (Go SEA)

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

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