UCSF

ZINC34951702

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 28 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) 2.79 5.32 -13.87 1 6 0 70 466.401 6
Mid Mid (pH 6-8) 2.79 7.53 -54.64 2 6 1 71 467.409 6

Activity (Go SEA)

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