UCSF

ZINC19883346

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 28 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) 3.46 11.28 -80.78 1 5 0 65 443.341 7
Lo Low (pH 4.5-6) 3.46 10.46 -55.14 2 5 1 62 444.349 7

Activity (Go SEA)

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