UCSF

ZINC57764272

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2011 21 Yes

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) 6.04 11.47 -26.83 2 2 1 16 287.471 4
Hi High (pH 8-9.5) 6.04 11.32 -0.99 1 2 0 15 286.463 4

Activity (Go SEA)

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