UCSF

ZINC68954823

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2011 13 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) 1.68 6.65 -103.47 3 2 2 21 184.327 3
Mid Mid (pH 6-8) 1.68 4.61 -35.01 2 2 1 20 183.319 3
Mid Mid (pH 6-8) 1.68 5.12 -27.28 2 2 1 16 183.319 3

Activity (Go SEA)

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

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