UCSF

ZINC20094002

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 3.78 10.98 -38.34 2 2 1 16 287.402 6
Hi High (pH 8-9.5) 3.78 8.86 -4.39 1 2 0 15 286.394 6

Activity (Go SEA)

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