UCSF

ZINC37791904

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 1.09 6.94 -54.67 2 5 0 74 278.352 5
Lo Low (pH 4.5-6) 1.09 4.99 -40.9 3 5 1 71 279.36 5

Activity (Go SEA)

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