UCSF

ZINC36688541

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 6.57 10.79 -16.2 1 6 0 81 483.59 6
Mid Mid (pH 6-8) 6.57 10.81 -61.68 0 6 -1 83 482.582 6

Activity (Go SEA)

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