UCSF

ZINC58304955

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 29 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) 4.20 10.56 -15.25 1 7 0 97 453.351 6
Hi High (pH 8-9.5) 4.39 9.24 -46.28 0 7 -1 103 452.343 6

Activity (Go SEA)

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

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