UCSF

ZINC04439775

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2005 23 Yes

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) 0.34 -2.5 -43.15 2 9 -1 133 340.337 5
Hi High (pH 8-9.5) -0.12 -5.57 -43.99 2 9 -1 132 340.337 5

Activity (Go SEA)

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

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