UCSF

ZINC37982281

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) 4.57 7.56 -4.79 2 2 0 32 348.284 6
Lo Low (pH 4.5-6) 4.57 8.67 -44 3 2 1 37 349.292 6

Activity (Go SEA)

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