UCSF

ZINC57531479

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2011 30 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) 0.76 4.62 -23.18 2 9 0 102 410.43 6
Lo Low (pH 4.5-6) 0.76 5.09 -50.98 3 9 1 103 411.438 6

Activity (Go SEA)

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