UCSF

ZINC38647797

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 34 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) 6.68 11.61 -21.86 2 9 0 129 456.458 7
Hi High (pH 8-9.5) 6.68 12.64 -71.91 1 9 -1 132 455.45 7
Hi High (pH 8-9.5) 6.68 10.83 -64.09 1 9 -1 132 455.45 7

Activity (Go SEA)

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