UCSF

ZINC69948837

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 16 Yes

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) 0.18 0.66 -14.28 1 6 0 75 245.304 2
Hi High (pH 8-9.5) 0.18 0.56 -38.43 0 6 -1 74 244.296 2

Activity (Go SEA)

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

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