UCSF

ZINC39952642

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 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) 2.32 6.38 -45.55 2 4 1 46 277.388 5
Mid Mid (pH 6-8) 2.32 8.16 -127.59 3 4 2 47 278.396 5
Lo Low (pH 4.5-6) 2.32 6.82 -39.55 2 4 1 43 277.388 5

Activity (Go SEA)

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