UCSF

ZINC53432222

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 27 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) 2.09 6.72 -12.05 0 6 0 47 374.529 8
Lo Low (pH 4.5-6) 2.09 8.91 -38.37 1 6 1 48 375.537 8

Activity (Go SEA)

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