UCSF

ZINC05882216

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 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) 5.70 11.18 -53.42 3 3 1 45 407.39 6
Mid Mid (pH 6-8) 5.70 11.41 -5.01 2 3 0 44 406.382 6

Activity (Go SEA)

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