UCSF

ZINC58344953

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 20 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) 1.07 3.38 -59.42 4 5 1 67 273.36 5
Hi High (pH 8-9.5) 1.07 2 -10.11 3 5 0 62 272.352 5
Mid Mid (pH 6-8) 1.07 3.54 -105.73 5 5 2 68 274.368 5

Activity (Go SEA)

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

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