UCSF

ZINC20445196

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 26 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) 3.35 5.25 -16.45 0 5 0 67 414.98 5
Lo Low (pH 4.5-6) 3.35 7.79 -44.04 1 5 1 68 415.988 5
Lo Low (pH 4.5-6) 3.35 7.79 -44.04 1 5 1 68 415.988 5

Activity (Go SEA)

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