UCSF

ZINC05093769

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 23 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) 3.06 5.77 -24.91 2 6 0 84 374.194 4
Hi High (pH 8-9.5) 3.52 3.87 -63.7 1 6 -1 87 373.186 4
Hi High (pH 8-9.5) 3.98 4.36 -52.09 1 6 -1 90 373.186 4

Activity (Go SEA)

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