UCSF

ZINC35721299

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 19 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) 1.74 5.81 -61.11 1 5 -1 78 270.349 6
Lo Low (pH 4.5-6) 1.74 4.09 -11.56 2 5 0 76 271.357 6

Activity (Go SEA)

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