UCSF

ZINC53313856

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 24 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) 2.44 5.11 -11.88 0 6 0 64 326.352 4
Mid Mid (pH 6-8) 2.44 7.44 -49.1 1 6 1 65 327.36 4

Activity (Go SEA)

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

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