UCSF

ZINC43394888

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 3.15 8.97 -34.5 2 4 1 43 293.431 9
Hi High (pH 8-9.5) 3.15 6.86 -5.68 1 4 0 42 292.423 9

Activity (Go SEA)

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