UCSF

ZINC04439770

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2005 26 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) 3.25 -7.61 -16.89 1 6 0 93 408.888 5
Hi High (pH 8-9.5) 3.25 -7.08 -47.16 0 6 -1 95 407.88 5

Activity (Go SEA)

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

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