UCSF

ZINC61834467

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 18 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) 1.68 5.41 -57.24 1 5 -1 78 250.274 6
Lo Low (pH 4.5-6) 1.68 3.43 -18.71 2 5 0 76 251.282 6

Activity (Go SEA)

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