UCSF

ZINC40056403

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 6.03 13.89 -12.29 0 6 0 73 474.944 5
Lo Low (pH 4.5-6) 6.03 14.31 -31.12 1 6 1 74 475.952 5

Activity (Go SEA)

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