UCSF

ZINC70003878

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 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) 2.08 4.43 -35.95 1 4 1 20 284.468 6
Hi High (pH 8-9.5) 2.08 2.16 -2.51 0 4 0 19 283.46 6
Mid Mid (pH 6-8) 2.08 6.72 -90.8 2 4 2 21 285.476 6

Activity (Go SEA)

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

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