UCSF

ZINC55269647

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2010 22 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) 2.62 9.7 -9.78 0 4 0 42 318.804 6
Lo Low (pH 4.5-6) 2.62 10.16 -35.84 1 4 1 44 319.812 6

Activity (Go SEA)

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