UCSF

ZINC19363396

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 24 Yes

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) 4.94 11.85 -33.92 2 2 1 16 386.357 5
Lo Low (pH 4.5-6) 4.94 12.76 -112.46 3 2 2 21 387.365 5

Activity (Go SEA)

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