UCSF

ZINC31933326

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 20 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) 1.58 8.54 -68.07 1 5 0 62 273.336 3
Hi High (pH 8-9.5) 1.58 6.17 -54.51 0 5 -1 61 272.328 3
Mid Mid (pH 6-8) 1.58 8.95 -106.01 2 5 1 63 274.344 3

Activity (Go SEA)

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