UCSF

ZINC19646005

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 33 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) 2.30 9.57 -18.95 0 8 0 72 447.518 5
Mid Mid (pH 6-8) 2.30 11.85 -48.27 1 8 1 73 448.526 5

Activity (Go SEA)

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