UCSF

ZINC19967369

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 20 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) 3.77 6.69 -54.49 3 3 1 46 272.368 6
Hi High (pH 8-9.5) 3.77 6.42 -5.77 2 3 0 44 271.36 6

Activity (Go SEA)

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