UCSF

ZINC37009444

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 1.72 5.95 -9.28 1 3 0 42 260.724 4
Lo Low (pH 4.5-6) 1.72 6.41 -42.78 2 3 1 43 261.732 4

Activity (Go SEA)

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