UCSF

ZINC37144116

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 20 No

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) -0.43 4.23 -44.75 3 5 1 54 301.48 7
Lo Low (pH 4.5-6) -0.43 6.7 -110.42 4 5 2 55 302.488 7
Lo Low (pH 4.5-6) -0.43 4.3 -48.78 3 5 1 54 301.48 7

Activity (Go SEA)

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