UCSF

ZINC20486455

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 20 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) 1.18 5.58 -9.42 3 5 0 75 270.336 5
Lo Low (pH 4.5-6) 1.18 5.97 -40.41 4 5 1 76 271.344 5

Activity (Go SEA)

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