UCSF

ZINC42450786

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 0.06 2.29 -49.39 2 5 1 49 256.37 3
Mid Mid (pH 6-8) 0.06 0.99 -7.44 1 5 0 45 255.362 3
Lo Low (pH 4.5-6) 0.06 4.02 -98.07 3 5 2 51 257.378 3

Activity (Go SEA)

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