UCSF

ZINC34949323

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) 1.69 7.66 -9.77 0 7 0 68 392.496 12
Mid Mid (pH 6-8) 1.69 9.92 -42.26 1 7 1 70 393.504 12

Activity (Go SEA)

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