UCSF

ZINC19904157

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 28 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) 1.90 7.73 -121.49 0 7 -2 110 379.368 7
Lo Low (pH 4.5-6) 1.90 6.9 -57.14 1 7 -1 107 380.376 7

Activity (Go SEA)

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