UCSF

ZINC23468860

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2009 36 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) 0.94 2.93 -29.75 4 10 0 123 494.596 8
Mid Mid (pH 6-8) 0.94 5.18 -57.72 5 10 1 124 495.604 8

Activity (Go SEA)

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