UCSF

ZINC13687864

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 24 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) 3.87 5.72 -43.07 1 5 -1 74 339.396 5
Ref Reference (pH 7) 4.36 6.23 -10.15 2 5 0 75 340.404 4
Hi High (pH 8-9.5) 4.81 3.79 -48.1 1 5 -1 78 339.396 4
Hi High (pH 8-9.5) 4.81 4.48 -46.76 1 5 -1 78 339.396 4

Activity (Go SEA)

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