UCSF

ZINC05695920

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 21 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) 4.88 8.28 -43.32 0 3 -1 44 313.427 3
Ref Reference (pH 7) 5.37 8.39 -7.69 1 3 0 45 314.435 2
Hi High (pH 8-9.5) 5.82 7 -48.12 0 3 -1 48 313.427 2
Hi High (pH 8-9.5) 5.82 6.33 -49.1 0 3 -1 48 313.427 2

Activity (Go SEA)

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