UCSF

ZINC25406565

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 22 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) 2.39 4.69 -19.78 3 5 0 89 380.582 8
Hi High (pH 8-9.5) 2.39 5.36 -48.02 2 5 -1 87 379.574 8

Activity (Go SEA)

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