UCSF

ZINC72043367

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2012 29 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) 3.81 8.83 -42.4 3 6 1 72 416.567 9
Hi High (pH 8-9.5) 3.81 6.52 -9.22 2 6 0 71 415.559 9

Activity (Go SEA)

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

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