UCSF

ZINC01376102

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 28 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) 2.08 -3.83 -21.8 3 9 0 132 400.464 6
Hi High (pH 8-9.5) 2.08 -3.46 -59.5 2 9 -1 134 399.456 6

Activity (Go SEA)

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

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