UCSF

ZINC67954377

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 20 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) 1.05 8.81 -79.36 3 5 2 53 276.384 4
Hi High (pH 8-9.5) 1.05 6.27 -16.07 1 5 0 50 274.368 4
Mid Mid (pH 6-8) 1.05 8.35 -42.9 2 5 1 51 275.376 4
Mid Mid (pH 6-8) 1.23 7.05 -33.2 2 5 1 59 275.376 4

Activity (Go SEA)

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

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