UCSF

ZINC37054039

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 3.35 3.77 -38.21 2 5 -1 87 351.622 3
Lo Low (pH 4.5-6) 3.52 4.27 -10.74 3 5 0 88 352.63 2

Activity (Go SEA)

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