UCSF

ZINC55060768

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 22 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) 3.33 6.16 -46.3 3 3 1 45 338.88 7
Hi High (pH 8-9.5) 3.33 6.92 -61.21 2 3 0 48 337.872 7
Hi High (pH 8-9.5) 3.33 5.02 -45.95 1 3 -1 47 336.864 7
Mid Mid (pH 6-8) 3.33 4.25 -6.51 2 3 0 44 337.872 7

Activity (Go SEA)

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