UCSF

ZINC19723256

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 14 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) 0.53 5.78 -38.05 2 3 1 37 197.302 2
Hi High (pH 8-9.5) 0.53 4.25 -5.04 1 3 0 32 196.294 2
Lo Low (pH 4.5-6) 0.53 4.38 -34.99 2 3 1 34 197.302 2
Lo Low (pH 4.5-6) 0.53 5.79 -117.3 3 3 2 38 198.31 2

Activity (Go SEA)

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