UCSF

ZINC31853333

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2009 26 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) 3.04 10.82 -13.33 0 5 0 59 386.546 7
Lo Low (pH 4.5-6) 3.04 11.28 -41.9 1 5 1 60 387.554 7

Activity (Go SEA)

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