UCSF

ZINC62033458

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 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) 0.29 1.39 -10.06 1 5 0 58 211.265 6
Mid Mid (pH 6-8) 0.29 1.47 -27.68 2 5 1 60 212.273 6
Mid Mid (pH 6-8) 0.29 1.51 -29.13 2 5 1 60 212.273 6

Activity (Go SEA)

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

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