UCSF

ZINC41668948

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 Yes

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) 3.58 5.67 -12.27 0 7 0 64 450.535 6
Mid Mid (pH 6-8) 3.58 8.51 -56.9 1 7 1 66 451.543 6
Mid Mid (pH 6-8) 3.58 7.93 -51.2 1 7 1 66 451.543 6
Lo Low (pH 4.5-6) 3.58 10.79 -132.1 2 7 2 67 452.551 6

Activity (Go SEA)

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