UCSF

ZINC54911293

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 21 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) 2.34 5.62 -9.51 1 4 0 49 303.431 3
Mid Mid (pH 6-8) 2.34 6.02 -30.67 2 4 1 50 304.439 3
Lo Low (pH 4.5-6) 2.34 6.48 -83.95 3 4 2 52 305.447 3

Activity (Go SEA)

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

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