UCSF

ZINC80350777

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2012 17 No

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) -0.20 1.57 -47.06 2 5 -1 82 254.287 3
Mid Mid (pH 6-8) -0.20 2.54 -27.12 3 5 0 86 255.295 3

Activity (Go SEA)

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

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