UCSF

ZINC33953883

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2009 27 No

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) 3.90 11.58 -58.49 0 4 -1 70 389.899 6
Lo Low (pH 4.5-6) 3.90 10.89 -10.36 1 4 0 68 390.907 6

Activity (Go SEA)

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