UCSF

ZINC22455243

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 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) 2.78 7.38 -36.47 1 2 1 8 257.348 7
Hi High (pH 8-9.5) 2.78 5.22 -2.26 0 2 0 6 256.34 7
Mid Mid (pH 6-8) 2.78 7.3 -34.76 1 2 1 8 257.348 7
Lo Low (pH 4.5-6) 2.78 9.66 -109.72 2 2 2 9 258.356 7

Activity (Go SEA)

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