UCSF

ZINC20060183

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 19 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) 2.37 6.42 -47.33 3 4 1 49 260.361 6
Hi High (pH 8-9.5) 2.37 4.19 -12.25 2 4 0 48 259.353 6

Activity (Go SEA)

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