UCSF

ZINC19997815

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 19 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) -0.44 5.56 -49.05 3 6 1 71 285.393 6
Hi High (pH 8-9.5) -0.44 3.09 -9.97 2 6 0 70 284.385 6

Activity (Go SEA)

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