UCSF

ZINC40192975

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 37 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) 7.75 17.46 -11.94 1 4 0 47 487.647 8
Lo Low (pH 4.5-6) 7.75 18.01 -35.99 2 4 1 48 488.655 8

Activity (Go SEA)

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