UCSF

ZINC40184448

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 32 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) 5.15 13.1 -14.79 1 5 0 60 426.564 9
Lo Low (pH 4.5-6) 5.15 13.37 -34.79 2 5 1 61 427.572 9

Activity (Go SEA)

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