UCSF

ZINC66088900

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 30 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) 3.74 8.67 -59.11 0 6 -1 79 428.892 9
Lo Low (pH 4.5-6) 3.74 7.92 -15.34 1 6 0 76 429.9 9

Activity (Go SEA)

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