UCSF

ZINC59834349

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 38 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) 6.10 17.99 -37.48 1 7 0 91 528.734 17
Mid Mid (pH 6-8) 6.10 18.01 -52.82 0 7 -1 90 527.726 17

Activity (Go SEA)

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