UCSF

ZINC51890095

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2010 15 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) 0.91 3.01 -40.98 2 3 1 33 226.369 4
Lo Low (pH 4.5-6) 0.91 5.32 -100.36 3 3 2 34 227.377 4

Activity (Go SEA)

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