UCSF

ZINC45605782

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2010 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) 4.31 6.48 -56.2 1 6 -1 87 467.42 8
Mid Mid (pH 6-8) 4.31 6.41 -15.08 2 6 0 85 468.428 8

Activity (Go SEA)

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