UCSF

ZINC40058689

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 31 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) 4.95 13 -11.41 0 5 0 63 414.436 2
Mid Mid (pH 6-8) 4.95 13.42 -32.78 1 5 1 65 415.444 2

Activity (Go SEA)

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