UCSF

ZINC31933279

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 25 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) 2.20 5.77 -46.05 2 6 1 56 337.403 3
Hi High (pH 8-9.5) 2.20 4.37 -11.11 1 6 0 51 336.395 3
Mid Mid (pH 6-8) 2.20 6.17 -86.28 3 6 2 57 338.411 3

Activity (Go SEA)

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