UCSF

ZINC19500801

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 25 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) 1.62 5.47 -12.02 1 7 0 85 346.383 5
Lo Low (pH 4.5-6) 1.62 5.4 -43.97 2 7 1 90 347.391 5

Activity (Go SEA)

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