UCSF

ZINC21800045

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 28 Yes

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) 3.23 8.79 -24.81 1 6 0 59 378.476 5
Mid Mid (pH 6-8) 3.23 10.98 -57.9 2 6 1 61 379.484 5
Mid Mid (pH 6-8) 3.23 9.2 -35.61 2 6 1 61 379.484 5
Lo Low (pH 4.5-6) 3.23 11.39 -109.38 3 6 2 62 380.492 5

Activity (Go SEA)

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