UCSF

ZINC37869057

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 24 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) 1.78 1.99 -47.78 0 7 -1 93 341.324 2
Lo Low (pH 4.5-6) 1.33 4.67 -10.47 1 7 0 90 342.332 2

Activity (Go SEA)

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