UCSF

ZINC26663652

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2009 25 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) 2.41 6.5 -61.96 0 7 -1 82 344.343 4
Lo Low (pH 4.5-6) 2.41 5.61 -14.33 1 7 0 79 345.351 4

Activity (Go SEA)

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