UCSF

ZINC36638864

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 24 Yes

Other Names:

MFCD12968417

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) 3.97 7.39 -17.24 1 5 0 72 342.42 4
Hi High (pH 8-9.5) 3.80 6.92 -51.8 0 5 -1 70 341.412 5

Activity (Go SEA)

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

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