UCSF

ZINC31568505

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 30 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) 4.46 8.8 -9.91 0 6 0 62 424.932 5
Mid Mid (pH 6-8) 4.46 11.01 -50.38 1 6 1 64 425.94 5

Activity (Go SEA)

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