UCSF

ZINC19960910

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 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) 3.29 9.55 -115.68 3 2 2 21 280.481 6
Mid Mid (pH 6-8) 3.29 8.51 -35.52 2 2 1 16 279.473 6

Activity (Go SEA)

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