UCSF

ZINC12615137

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 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) 5.71 9.92 -14.54 1 6 0 78 428.583 6
Ref Reference (pH 7) 4.78 9.7 -13.62 1 6 0 75 428.583 7
Lo Low (pH 4.5-6) 4.78 10.05 -38.27 2 6 1 76 429.591 7
Lo Low (pH 4.5-6) 5.71 9.91 -14.68 1 6 0 78 428.583 6

Activity (Go SEA)

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