UCSF

ZINC55451973

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2010 23 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) 4.06 7.63 -15.58 1 4 0 55 326.783 2
Hi High (pH 8-9.5) 4.06 8.4 -45.58 0 4 -1 58 325.775 2

Activity (Go SEA)

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