UCSF

ZINC42874357

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 2.31 6.67 -103.76 3 5 2 49 294.395 6
Hi High (pH 8-9.5) 2.31 4.46 -39.84 2 5 1 48 293.387 6

Activity (Go SEA)

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