UCSF

ZINC09243437

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 35 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) 5.13 8.11 -17.41 3 7 0 99 489.959 6
Ref Reference (pH 7) 5.13 8.06 -13.06 3 7 0 99 489.959 6
Hi High (pH 8-9.5) 5.11 7.91 -53.55 1 7 -1 98 488.951 6
Hi High (pH 8-9.5) 5.11 7.87 -51.25 1 7 -1 98 488.951 6
Hi High (pH 8-9.5) 5.13 8.87 -43.66 2 7 -1 102 488.951 6
Mid Mid (pH 6-8) 5.13 8.83 -50.17 2 7 -1 102 488.951 6

Activity (Go SEA)

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