UCSF

ZINC35451648

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 34 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) 4.41 12.09 -10.34 1 7 0 71 457.578 5
Mid Mid (pH 6-8) 4.41 12.57 -39.64 2 7 1 72 458.586 5

Activity (Go SEA)

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