UCSF

ZINC06813862

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 30 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) 1.60 6.15 -63.66 1 9 -1 136 411.39 9
Mid Mid (pH 6-8) 1.01 5.95 -29.55 1 9 0 130 412.398 9
Mid Mid (pH 6-8) 2.04 4.93 -36.92 2 9 0 133 412.398 8

Activity (Go SEA)

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