UCSF

ZINC36876229

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 0.32 3.28 -49.93 4 4 1 69 206.269 4
Mid Mid (pH 6-8) 0.32 3.24 -47.96 4 4 1 69 206.269 4
Mid Mid (pH 6-8) 0.32 3.7 -98.85 5 4 2 71 207.277 4

Activity (Go SEA)

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

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