UCSF

ZINC22575499

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2008 28 No

Download: MOL2 SDF SMILES Flexibase

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) 3.65 8.37 -39.19 2 5 1 58 379.48 4
Hi High (pH 8-9.5) 3.65 6.86 -42.42 0 5 -1 60 377.464 4
Mid Mid (pH 6-8) 3.65 9.11 -26.6 1 5 0 61 378.472 4
Mid Mid (pH 6-8) 3.65 6.1 -7.68 1 5 0 57 378.472 4
Mid Mid (pH 6-8) 3.65 8.36 -42.23 2 5 1 58 379.48 4

Activity (Go SEA)

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