UCSF

ZINC37794685

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 2.03 6.93 -51.42 1 7 -1 115 283.647 4
Lo Low (pH 4.5-6) 2.03 4.94 -12.77 2 7 0 112 284.655 4

Activity (Go SEA)

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