UCSF

ZINC09235050

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 26 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) 5.95 7.72 -11.95 2 5 0 75 453.745 4
Hi High (pH 8-9.5) 5.95 8.36 -50.14 1 5 -1 78 452.737 4
Hi High (pH 8-9.5) 6.41 5.7 -44.57 1 5 -1 78 452.737 4
Hi High (pH 8-9.5) 5.46 8.58 -97.15 0 5 -2 76 451.729 5
Hi High (pH 8-9.5) 5.95 8.64 -49.52 1 5 -1 78 452.737 4
Hi High (pH 8-9.5) 6.41 6.18 -42 1 5 -1 78 452.737 4

Activity (Go SEA)

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