UCSF

ZINC37202106

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 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) 3.67 7.59 -35.94 2 3 1 29 298.52 8
Hi High (pH 8-9.5) 3.67 5.5 -3.65 1 3 0 28 297.512 8
Lo Low (pH 4.5-6) 3.67 8.79 -116.68 3 3 2 34 299.528 8

Activity (Go SEA)

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