UCSF

ZINC30113589

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2009 18 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) 0.05 4.92 -39.1 1 7 -1 97 250.282 4
Mid Mid (pH 6-8) -0.13 6.48 -15.99 2 7 0 91 251.29 4

Activity (Go SEA)

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

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