UCSF

ZINC19939137

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 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) 4.01 9.75 -56.39 0 7 -1 82 497.999 9
Mid Mid (pH 6-8) 4.01 12.08 -74.38 1 7 0 83 499.007 9

Activity (Go SEA)

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