UCSF

ZINC98215055

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2014 38 Yes

Other Names:

MFCD00058605

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) -1.24 0.35 -66.24 8 13 1 196 545.702 23
Hi High (pH 8-9.5) -1.24 1.32 -96.68 7 13 0 199 544.694 23

Activity (Go SEA)

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

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