UCSF

ZINC05835514

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 26 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) 4.46 9.37 -58.28 3 4 1 58 408.378 6
Mid Mid (pH 6-8) 4.46 8.99 -8.1 2 4 0 57 407.37 6

Activity (Go SEA)

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