UCSF

ZINC54763340

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2010 15 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) 0.52 5.33 -80.8 4 4 2 46 210.325 5
Mid Mid (pH 6-8) 0.52 4.86 -30.44 3 4 1 45 209.317 5
Lo Low (pH 4.5-6) 0.52 6.62 -199.52 5 4 3 51 211.333 5

Activity (Go SEA)

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

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