UCSF

ZINC19368541

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 27 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) 2.70 8.83 -111.92 0 6 -2 101 428.238 6
Lo Low (pH 4.5-6) 2.70 8 -51.89 1 6 -1 98 429.246 6

Activity (Go SEA)

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