UCSF

ZINC37011242

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 1.91 -0.73 -39.89 2 6 -1 108 325.819 6
Mid Mid (pH 6-8) 1.91 -0.9 -15.49 3 6 0 106 326.827 6

Activity (Go SEA)

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