UCSF

ZINC14010207

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 26 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) 2.87 6.04 -10.91 2 6 0 84 421.222 4
Ref Reference (pH 7) 2.87 6.55 -9.18 2 6 0 84 421.222 4
Hi High (pH 8-9.5) 2.87 6.96 -41.13 1 6 -1 87 420.214 4

Activity (Go SEA)

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

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