UCSF

ZINC37440571

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 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) 2.69 6.94 -46.64 2 3 1 34 238.742 4
Hi High (pH 8-9.5) 2.69 5.5 -7.79 1 3 0 30 237.734 4

Activity (Go SEA)

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