UCSF

ZINC32109805

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 34 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) 2.22 9.44 -16.07 2 8 0 110 450.454 4
Hi High (pH 8-9.5) 2.68 8.61 -51.9 1 8 -1 113 449.446 4

Activity (Go SEA)

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