UCSF

ZINC41146203

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 34 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) 6.70 15.62 -15 0 5 0 46 456.586 10
Lo Low (pH 4.5-6) 6.70 16.27 -33.94 1 5 1 47 457.594 10

Activity (Go SEA)

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