UCSF

ZINC52384885

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 26 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) 4.13 7.8 -38.7 2 5 1 46 382.956 9
Mid Mid (pH 6-8) 4.13 5.61 -10.12 1 5 0 45 381.948 9
Mid Mid (pH 6-8) 4.13 7.89 -38.87 2 5 1 46 382.956 9

Activity (Go SEA)

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