UCSF

ZINC21242970

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 29 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) 4.51 8.99 -14.97 2 5 0 76 456.336 4
Hi High (pH 8-9.5) 4.51 9.75 -55.67 1 5 -1 78 455.328 4

Activity (Go SEA)

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