UCSF

ZINC65329473

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 22 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) -0.45 3.33 -20.77 0 7 0 72 304.35 2
Mid Mid (pH 6-8) -0.45 5.56 -52.98 1 7 1 73 305.358 2

Activity (Go SEA)

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