UCSF

ZINC41599066

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 No

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) -1.05 -0.33 -54.54 3 7 1 78 283.352 3
Hi High (pH 8-9.5) -1.42 -2.71 -53.44 2 7 0 85 282.344 3
Lo Low (pH 4.5-6) -1.05 1.93 -96.18 4 7 2 80 284.36 3

Activity (Go SEA)

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

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