UCSF

ZINC40116648

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 23 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) 2.37 6.52 -54.81 1 5 -1 82 308.313 4
Mid Mid (pH 6-8) 2.37 5.61 -11.59 2 5 0 80 309.321 4

Activity (Go SEA)

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