UCSF

ZINC42818810

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 16 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) 0.34 4.52 -41.44 2 4 1 46 227.328 5
Hi High (pH 8-9.5) 0.34 3.09 -9.81 1 4 0 42 226.32 5

Activity (Go SEA)

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