UCSF

ZINC36634537

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 25 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) 3.11 9.3 -19.92 0 7 0 79 352.785 3
Lo Low (pH 4.5-6) 3.11 9.77 -58.02 1 7 1 80 353.793 3

Activity (Go SEA)

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