UCSF

ZINC42447502

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 2.46 2.95 -55.67 3 4 1 65 289.446 4
Hi High (pH 8-9.5) 2.46 2.55 -8.61 2 4 0 63 288.438 4

Activity (Go SEA)

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