UCSF

ZINC33762460

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 28 No

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) 2.24 7.85 -13.71 1 6 0 50 420.966 9
Mid Mid (pH 6-8) 2.24 10.12 -50.23 2 6 1 51 421.974 9
Lo Low (pH 4.5-6) 2.24 10.58 -105.46 3 6 2 52 422.982 9

Activity (Go SEA)

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