UCSF

ZINC70187460

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2011 18 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) 1.17 4.39 -94.48 4 3 2 35 253.434 3
Mid Mid (pH 6-8) 1.17 6.74 -166.06 5 3 3 37 254.442 3
Mid Mid (pH 6-8) 1.17 4.54 -80.68 4 3 2 35 253.434 3

Activity (Go SEA)

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

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