UCSF

ZINC42834027

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 45 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) 6.30 11.55 -14.03 1 8 0 71 608.735 4
Lo Low (pH 4.5-6) 6.30 16.06 -103.21 3 8 2 76 610.751 4
Lo Low (pH 4.5-6) 6.30 14.47 -51.68 2 8 1 72 609.743 4
Lo Low (pH 4.5-6) 6.30 13.19 -57.63 2 8 1 75 609.743 4

Activity (Go SEA)

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