UCSF

ZINC41659530

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.95 6.59 -12.11 0 9 0 101 451.479 6
Mid Mid (pH 6-8) 2.95 8.85 -49.51 1 9 1 102 452.487 6

Activity (Go SEA)

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