UCSF

ZINC37388751

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 18 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) -0.23 -0.03 -44.99 2 5 1 42 258.386 7
Lo Low (pH 4.5-6) -0.23 2.25 -110.93 3 5 2 43 259.394 7

Activity (Go SEA)

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