UCSF

ZINC10059515

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2007 35 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) 8.19 13.69 -16.57 2 8 0 120 468.513 8
Hi High (pH 8-9.5) 8.19 13.39 -53.25 1 8 -1 123 467.505 8
Hi High (pH 8-9.5) 8.19 14.69 -57.2 1 8 -1 123 467.505 8

Activity (Go SEA)

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