UCSF

ZINC67433552

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 24 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) 1.07 4.32 -37.53 2 6 1 57 337.488 2
Hi High (pH 8-9.5) 1.07 3.07 -10.15 1 6 0 56 336.48 2
Mid Mid (pH 6-8) 1.07 6.5 -94.29 3 6 2 58 338.496 2

Activity (Go SEA)

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

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