UCSF

ZINC37411242

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 21 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) 2.52 8.05 -59.13 1 5 -1 78 296.318 10
Lo Low (pH 4.5-6) 2.52 6.07 -21.51 2 5 0 76 297.326 10

Activity (Go SEA)

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