UCSF

ZINC69514119

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 25 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) 1.38 5.34 -43.36 3 7 1 94 347.439 3
Hi High (pH 8-9.5) 1.38 3.26 -15.01 2 7 0 93 346.431 3

Activity (Go SEA)

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

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