UCSF

ZINC31943446

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 26 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) 5.74 13.76 -13.14 0 3 0 42 337.426 3
Mid Mid (pH 6-8) 5.74 14.16 -31.91 1 3 1 43 338.434 3

Activity (Go SEA)

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