UCSF

ZINC60017602

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 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) 5.84 10.3 -52.67 1 9 -1 119 535.694 13
Mid Mid (pH 6-8) 5.84 10.36 -21.1 2 9 0 117 536.702 13

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.