UCSF

ZINC61074825

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2011 19 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) -0.31 3.68 -17.87 1 5 0 62 259.309 4
Lo Low (pH 4.5-6) -0.31 4.15 -55.4 2 5 1 64 260.317 4

Activity (Go SEA)

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