UCSF

ZINC31958669

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 25 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) 2.72 9.64 -53.39 1 6 -1 87 336.371 5
Mid Mid (pH 6-8) 2.72 10 -59.82 2 6 0 88 337.379 5
Lo Low (pH 4.5-6) 2.72 8.88 -35.71 3 6 1 85 338.387 5

Activity (Go SEA)

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