UCSF

ZINC75245196

Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 2012 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.38 11.83 -9.98 0 3 0 33 330.431 6
Lo Low (pH 4.5-6) 3.38 12.23 -48.67 1 3 1 34 331.439 6

Activity (Go SEA)

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