UCSF

ZINC69741092

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 20 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) 3.41 7.13 -10.8 1 3 0 41 306.387 3
Hi High (pH 8-9.5) 3.48 5.28 -46.63 0 3 -1 48 305.379 3

Activity (Go SEA)

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

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