UCSF

ZINC52838847

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 29 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.42 8.14 -56.91 2 7 1 78 395.483 7
Mid Mid (pH 6-8) 2.42 5.61 -22.87 1 7 0 76 394.475 7

Activity (Go SEA)

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