UCSF

ZINC13476405

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 25 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) 5.09 8.35 -9.21 1 5 0 64 374.849 4
Hi High (pH 8-9.5) 5.55 6.23 -46.84 0 5 -1 67 373.841 4
Hi High (pH 8-9.5) 5.55 6.83 -43.75 0 5 -1 67 373.841 4

Activity (Go SEA)

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