UCSF

ZINC53031764

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2010 19 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) 4.47 7.16 -35.7 2 2 1 20 301.907 5
Lo Low (pH 4.5-6) 4.47 9.56 -100.46 3 2 2 21 302.915 5

Activity (Go SEA)

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