UCSF

ZINC06786763

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 29 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) 1.69 5.63 -57.62 1 7 -1 99 396.419 9
Mid Mid (pH 6-8) 2.14 3.08 -27.24 2 7 0 96 397.427 8
Mid Mid (pH 6-8) 1.11 3.99 -19.63 1 7 0 93 397.427 9

Activity (Go SEA)

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