UCSF

ZINC27738443

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 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) 1.99 3.46 -50.37 1 7 -1 102 350.401 2
Lo Low (pH 4.5-6) 0.41 4.25 -20.81 1 7 0 96 351.409 2
Lo Low (pH 4.5-6) 0.81 3.55 -47.92 1 7 -1 102 350.401 2

Activity (Go SEA)

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