UCSF

ZINC36218300

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 28 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) 4.22 10.02 -12.3 1 5 0 50 376.504 6
Lo Low (pH 4.5-6) 4.22 10.78 -25.33 2 5 0 51 377.512 6

Activity (Go SEA)

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