UCSF

ZINC37149907

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 3.46 8.89 -35.33 2 3 1 20 290.475 7
Lo Low (pH 4.5-6) 3.46 10.1 -107.43 3 3 2 24 291.483 7

Activity (Go SEA)

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