UCSF

ZINC36639755

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 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) 6.63 12.75 -15.88 1 4 0 55 487.806 4
Hi High (pH 8-9.5) 6.70 11.34 -50.68 0 4 -1 61 486.798 4

Activity (Go SEA)

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