UCSF

ZINC35451603

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 32 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) 3.82 8.83 -11.35 1 8 0 80 439.56 5
Mid Mid (pH 6-8) 3.82 9.3 -41.73 2 8 1 81 440.568 5

Activity (Go SEA)

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