UCSF

ZINC19840857

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 22 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) 3.44 9.13 -40.12 1 2 1 8 313.387 4
Hi High (pH 8-9.5) 3.44 6.75 -3.15 0 2 0 6 312.379 4
Mid Mid (pH 6-8) 3.44 9.21 -36.22 1 2 1 8 313.387 4
Lo Low (pH 4.5-6) 3.44 11.39 -113.38 2 2 2 9 314.395 4

Activity (Go SEA)

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