UCSF

ZINC05157102

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 18 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) -3.14 -14.54 -53.44 4 9 -1 146 261.21 2
Mid Mid (pH 6-8) -2.77 -11.93 -16.63 5 9 0 140 262.218 2

Activity (Go SEA)

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