UCSF

ZINC13913953

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2008 27 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) 3.07 7.3 -57.06 1 7 -1 104 430.234 4
Ref Reference (pH 7) 3.07 7.68 -59.82 1 7 -1 104 430.234 4
Hi High (pH 8-9.5) 3.07 8.22 -92.69 0 7 -2 107 429.226 4
Hi High (pH 8-9.5) 3.07 8.59 -97.04 0 7 -2 107 429.226 4

Activity (Go SEA)

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