UCSF

ZINC49534025

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2010 17 No

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) 1.17 7.61 -13.3 1 4 0 47 268.411 3
Mid Mid (pH 6-8) 1.90 7.5 -42.47 0 4 -1 44 267.403 3

Activity (Go SEA)

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

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