UCSF

ZINC37109658

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 2.63 3.94 -40.55 3 2 1 31 213.389 5
Mid Mid (pH 6-8) 2.63 6.25 -26.76 3 2 1 30 213.389 5
Mid Mid (pH 6-8) 2.63 6.48 -117.68 4 2 2 32 214.397 5

Activity (Go SEA)

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