UCSF

ZINC19505949

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 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) 0.60 2.45 -47.41 5 6 1 89 293.391 8
Hi High (pH 8-9.5) 0.60 0.13 -13.36 4 6 0 87 292.383 8

Activity (Go SEA)

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