UCSF

ZINC37031593

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 No

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) 1.42 5.68 -43.66 3 3 1 46 315.871 2
Mid Mid (pH 6-8) 1.42 4.31 -8.11 2 3 0 41 314.863 2

Activity (Go SEA)

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