UCSF

ZINC50399476

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2010 15 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) 4.45 5.87 -2.47 3 2 0 38 226.751 5
Lo Low (pH 4.5-6) 4.45 5.02 -29.06 4 2 1 43 227.759 5

Activity (Go SEA)

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