UCSF

ZINC41720033

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 19 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) 0.97 4.09 -82.52 4 4 2 48 258.369 3
Lo Low (pH 4.5-6) 0.97 6.3 -181.58 5 4 3 49 259.377 3

Activity (Go SEA)

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