UCSF

ZINC36743228

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 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) 3.67 3.92 -38.68 2 4 -1 74 350.634 3
Lo Low (pH 4.5-6) 3.67 3.84 -6.71 3 4 0 72 351.642 3

Activity (Go SEA)

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