UCSF

ZINC37610437

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2009 19 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) 3.07 7.97 -40.3 3 3 1 45 258.389 5
Hi High (pH 8-9.5) 3.07 6.77 -8.34 2 3 0 41 257.381 5

Activity (Go SEA)

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