UCSF

ZINC95092771

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2013 15 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) 0.61 4.27 -49.56 4 5 1 70 204.257 2
Hi High (pH 8-9.5) 0.61 2.84 -8.84 3 5 0 66 203.249 2
Hi High (pH 8-9.5) 0.61 4.28 -50.36 4 5 1 70 204.257 2
Mid Mid (pH 6-8) 0.61 4.21 -54.95 4 5 1 70 204.257 2
Mid Mid (pH 6-8) 0.61 4.67 -86.77 5 5 2 71 205.265 2

Activity (Go SEA)

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

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