UCSF

ZINC45356527

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 31 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) -3.64 8.43 -155.09 4 11 -2 197 433.417 10
Hi High (pH 8-9.5) -3.64 8.09 -193.33 3 11 -3 196 432.409 10

Activity (Go SEA)

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