UCSF

ZINC31932084

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 35 No

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) 4.47 12.8 -15.23 2 7 0 81 488.613 10
Mid Mid (pH 6-8) 5.20 12.91 -50.32 1 7 -1 78 487.605 10

Activity (Go SEA)

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