UCSF

ZINC31973123

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 25 No

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) 3.64 10.81 -61.9 1 5 0 68 336.391 5
Mid Mid (pH 6-8) 3.64 10.4 -58.9 0 5 -1 67 335.383 5

Activity (Go SEA)

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