UCSF

ZINC37056333

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 4.27 5.47 -7.36 2 3 0 41 360.61 4
Hi High (pH 8-9.5) 4.27 6.39 -42.94 1 3 -1 44 359.602 4

Activity (Go SEA)

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