UCSF

ZINC37412889

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 14 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) 2.49 6.08 -9.07 1 2 0 33 272.529 0
Hi High (pH 8-9.5) 3.79 4.72 -36.91 0 2 -1 36 271.521 0

Activity (Go SEA)

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