UCSF

ZINC34670958

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 23 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) 1.98 2.62 -10.42 1 5 0 51 325.38 9
Lo Low (pH 4.5-6) 1.98 4.93 -48.16 2 5 1 52 326.388 9

Activity (Go SEA)

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