UCSF

ZINC55283673

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2010 23 Yes

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) 2.76 8.54 -11.92 0 5 0 51 314.433 7
Lo Low (pH 4.5-6) 2.76 9.01 -37.38 1 5 1 52 315.441 7

Activity (Go SEA)

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