UCSF

ZINC43434821

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) 2.86 4.86 -32.16 3 4 1 63 258.382 6
Hi High (pH 8-9.5) 2.86 4.03 -7.27 2 4 0 59 257.374 6

Activity (Go SEA)

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