UCSF

ZINC37598512

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2009 21 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) -0.05 7.8 -44.82 2 6 0 90 307.375 5
Hi High (pH 8-9.5) 0.41 5.17 -54.96 1 6 -1 93 306.367 5
Hi High (pH 8-9.5) -0.05 5.75 -47.9 1 6 -1 89 306.367 5

Activity (Go SEA)

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

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