UCSF

ZINC53159200

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 20 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) 3.25 9.2 -45.51 0 4 -1 44 301.782 3
Lo Low (pH 4.5-6) 2.52 8.9 -11.83 1 4 0 47 302.79 3

Activity (Go SEA)

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