UCSF

ZINC29489801

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 46 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) 8.65 25.7 -193.94 4 6 4 36 643.058 29
Hi High (pH 8-9.5) 8.65 23.36 -136.65 3 6 3 35 642.05 29

Activity (Go SEA)

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