UCSF

ZINC62973820

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 0.12 -0.19 -38.93 2 4 1 32 214.333 4
Mid Mid (pH 6-8) 0.12 2.17 -113.6 3 4 2 34 215.341 4
Mid Mid (pH 6-8) 0.12 2.02 -87.22 3 4 2 34 215.341 4

Activity (Go SEA)

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

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