UCSF

ZINC69498945

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 21 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) 2.97 10.11 -30.76 2 3 1 31 284.427 5
Hi High (pH 8-9.5) 2.97 9.77 -5.34 1 3 0 30 283.419 5
Mid Mid (pH 6-8) 2.97 9.67 -107.55 3 3 2 36 285.435 5
Mid Mid (pH 6-8) 2.97 9.8 -40.28 2 3 1 34 284.427 5

Activity (Go SEA)

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

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