UCSF

ZINC43454589

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) 2.70 7.14 -114.41 4 2 2 32 214.397 9
Mid Mid (pH 6-8) 2.70 6.75 -30.04 3 2 1 30 213.389 9
Mid Mid (pH 6-8) 2.70 5.38 -41.9 3 2 1 31 213.389 9

Activity (Go SEA)

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