UCSF

ZINC31535834

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 31 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) 3.50 8.04 -12.19 0 9 0 108 441.875 5
Mid Mid (pH 6-8) 3.50 10.23 -59.15 1 9 1 109 442.883 5

Activity (Go SEA)

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