UCSF

ZINC35148636

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 21 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) 0.59 3.37 -49.99 1 7 -1 107 313.355 6
Lo Low (pH 4.5-6) 0.59 1.88 -16.58 2 7 0 104 314.363 6

Activity (Go SEA)

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