UCSF

ZINC05083935

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 23 Yes

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) 3.91 9.7 -19.82 1 4 0 47 327.453 3
Mid Mid (pH 6-8) 3.91 10.14 -33.8 2 4 1 48 328.461 3

Activity (Go SEA)

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