UCSF

ZINC21055786

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 21 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) 2.73 4.02 -4.88 1 5 0 55 359.264 4
Mid Mid (pH 6-8) 2.73 5.65 -35.21 2 5 1 56 360.272 4

Activity (Go SEA)

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