UCSF

ZINC43254088

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 21 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) 2.67 4.35 -43.79 3 4 1 49 335.921 10
Mid Mid (pH 6-8) 2.67 5.62 -30.08 3 4 1 49 335.921 10
Mid Mid (pH 6-8) 2.67 5.91 -108.07 4 4 2 51 336.929 10

Activity (Go SEA)

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