UCSF

ZINC36881083

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 21 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) 2.77 8.18 -41.74 2 4 1 54 287.383 3
Hi High (pH 8-9.5) 2.77 7.09 -8.65 1 4 0 49 286.375 3

Activity (Go SEA)

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