UCSF

ZINC65532652

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 27 Yes

Other Names:

MFCD01032028

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) 2.15 7.9 -54.62 3 5 1 71 365.453 4
Hi High (pH 8-9.5) 2.15 5.66 -16.29 2 5 0 70 364.445 4

Activity (Go SEA)

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

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