UCSF

ZINC40181228

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 1.88 10.87 -17.92 0 6 0 68 384.439 6
Lo Low (pH 4.5-6) 1.88 11.66 -37.22 1 6 1 69 385.447 6

Activity (Go SEA)

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