UCSF

ZINC43411124

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 1.30 2.4 -41.28 4 5 1 77 286.421 5
Hi High (pH 8-9.5) 1.30 0.18 -8.7 3 5 0 75 285.413 5

Activity (Go SEA)

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