UCSF

ZINC41721612

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 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) 3.45 5.34 -30.46 2 3 1 44 238.266 2
Hi High (pH 8-9.5) 3.45 4.92 -7.72 1 3 0 42 237.258 2

Activity (Go SEA)

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