UCSF

ZINC35054940

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 18 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) 4.38 8.07 -36.1 2 2 1 26 311.66 7
Hi High (pH 8-9.5) 4.38 6.71 -3.4 1 2 0 21 310.652 7

Activity (Go SEA)

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