UCSF

ZINC49510936

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 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) 0.38 -1.12 -38.06 0 6 -1 84 233.203 3
Mid Mid (pH 6-8) -0.08 1.56 -7.43 1 6 0 81 234.211 3

Activity (Go SEA)

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

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