UCSF

ZINC79405312

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2012 15 Yes

Other Names:

MFCD21093919

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) 0.24 1.7 -39.78 3 4 1 54 215.317 4
Hi High (pH 8-9.5) 0.24 -0.81 -9.26 2 4 0 53 214.309 4

Activity (Go SEA)

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

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