UCSF

ZINC35474821

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 29 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) 2.63 7.98 -19.26 1 7 0 75 390.443 6
Lo Low (pH 4.5-6) 2.63 8.44 -47.38 2 7 1 76 391.451 6

Activity (Go SEA)

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