UCSF

ZINC43454338

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 15 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) 2.80 5.06 -40.91 3 2 1 31 213.389 6
Mid Mid (pH 6-8) 2.80 6.54 -32.26 3 2 1 30 213.389 6
Lo Low (pH 4.5-6) 2.80 6.86 -105.75 4 2 2 32 214.397 6

Activity (Go SEA)

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