UCSF

ZINC05083871

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 24 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) 3.43 10.14 -22.18 1 4 0 47 335.432 4
Mid Mid (pH 6-8) 3.43 10.57 -36.06 2 4 1 48 336.44 4

Activity (Go SEA)

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