UCSF

ZINC18137016

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 27 No

Other Names:

MFCD00640855

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) 1.71 5.73 -119.86 1 9 -2 143 367.317 4
Mid Mid (pH 6-8) 1.71 4.94 -65.72 2 9 -1 140 368.325 4

Activity (Go SEA)

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

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