UCSF

ZINC19864301

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 18 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) 0.29 0.48 -39.02 4 6 1 86 256.326 4
Hi High (pH 8-9.5) 0.29 -1.01 -8.37 3 6 0 82 255.318 4

Activity (Go SEA)

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