UCSF

ZINC69718356

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 14 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) 1.00 5.3 -115.36 4 2 2 32 216.394 1
Hi High (pH 8-9.5) 1.00 2.97 -42.07 3 2 1 31 215.386 1
Mid Mid (pH 6-8) 1.00 5 -33.41 3 2 1 30 215.386 1

Activity (Go SEA)

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

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