UCSF

ZINC36876458

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 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) 1.79 5.97 -45.71 3 4 1 55 272.372 3
Lo Low (pH 4.5-6) 1.79 6.37 -101.91 4 4 2 56 273.38 3

Activity (Go SEA)

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