UCSF

ZINC37835046

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 0.10 4.64 -46.89 0 6 -1 73 283.348 5
Mid Mid (pH 6-8) 0.10 6.59 -73.96 1 6 0 74 284.356 5
Lo Low (pH 4.5-6) 0.10 4.61 -45.91 2 6 1 71 285.364 5

Activity (Go SEA)

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