UCSF

ZINC41586413

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 31 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) 4.59 11.56 -44.89 2 6 1 81 442.557 6
Hi High (pH 8-9.5) 4.59 9.88 -43.56 0 6 -1 83 440.541 6
Mid Mid (pH 6-8) 4.59 9.3 -10.64 1 6 0 80 441.549 6
Mid Mid (pH 6-8) 4.59 12.13 -28.62 1 6 0 84 441.549 6

Activity (Go SEA)

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