UCSF

ZINC69779816

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 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) -0.60 1.54 -46.56 2 6 1 63 293.391 4
Hi High (pH 8-9.5) -0.60 -0.72 -8.72 1 6 0 62 292.383 4
Lo Low (pH 4.5-6) -0.60 1.63 -44.12 2 6 1 63 293.391 4
Lo Low (pH 4.5-6) -0.60 3.89 -116.79 3 6 2 64 294.399 4

Activity (Go SEA)

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

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