UCSF

ZINC37087246

Substance Information

In ZINC since Heavy atoms Benign functionality
November 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) 2.76 9.25 -39.83 2 3 1 34 284.427 3
Lo Low (pH 4.5-6) 2.76 9.41 -103.09 3 3 2 36 285.435 3

Activity (Go SEA)

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