UCSF

ZINC44722906

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 17 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) -0.32 3.14 -45.34 3 5 1 69 237.327 6
Lo Low (pH 4.5-6) -0.32 4.34 -122.65 4 5 2 74 238.335 6
Lo Low (pH 4.5-6) -0.32 1.94 -53.26 3 5 1 73 237.327 6

Activity (Go SEA)

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