UCSF

ZINC29466539

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 26 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) -5.29 10.16 -71.54 0 5 2 16 366.594 6
Mid Mid (pH 6-8) -5.29 12.58 -169.28 1 5 3 17 367.602 6

Activity (Go SEA)

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