UCSF

ZINC41510581

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 27 No

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) 5.32 10.76 -38.48 2 4 1 55 407.317 5
Mid Mid (pH 6-8) 5.32 11.28 -27.75 1 4 0 58 406.309 5

Activity (Go SEA)

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