UCSF

ZINC59343975

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2011 22 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) 4.34 11.14 -105 4 2 2 33 298.474 9
Hi High (pH 8-9.5) 4.34 10.04 -40.19 3 2 1 29 297.466 9

Activity (Go SEA)

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