UCSF

ZINC37351497

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 4.67 9.32 -7.71 2 3 0 44 318.207 2
Lo Low (pH 4.5-6) 4.67 9.27 -27.47 3 3 1 45 319.215 2

Activity (Go SEA)

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