UCSF

ZINC35628738

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 21 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) 4.43 7.81 -118.27 4 3 2 41 292.467 5
Mid Mid (pH 6-8) 4.43 6.81 -34.29 3 3 1 37 291.459 5
Mid Mid (pH 6-8) 4.43 5.85 -35.99 3 3 1 40 291.459 5

Activity (Go SEA)

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

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