UCSF

ZINC37060162

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 4.75 6.64 -6.46 2 5 0 78 347.585 4
Mid Mid (pH 6-8) 4.75 7.38 -33.67 1 5 -1 81 346.577 4

Activity (Go SEA)

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