UCSF

ZINC36476739

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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 7.82 -62.63 1 6 1 65 299.354 4
Mid Mid (pH 6-8) 1.69 5.42 -15.31 0 6 0 64 298.346 4

Activity (Go SEA)

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