UCSF

ZINC40183509

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 30 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) 4.57 11.52 -10.05 1 5 0 60 398.51 6
Lo Low (pH 4.5-6) 4.57 12.23 -35.43 2 5 1 61 399.518 6

Activity (Go SEA)

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