UCSF

ZINC03637083

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 26 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) 5.88 3.5 -6.43 0 2 0 36 390.455 5
Lo Low (pH 4.5-6) 5.88 3.72 -36.4 1 2 1 37 391.463 5

Activity (Go SEA)

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