UCSF

ZINC37371898

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 21 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) 3.97 7.43 -102.23 4 3 2 41 298.515 7
Mid Mid (pH 6-8) 3.97 8.27 -36.65 3 3 1 44 297.507 7

Activity (Go SEA)

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