UCSF

ZINC14014348

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 30 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) 3.35 12.34 -12.66 0 5 0 78 412.526 4
Mid Mid (pH 6-8) 4.52 12.59 -116.21 0 5 -2 89 410.51 4
Mid Mid (pH 6-8) 4.52 11.26 -56.07 1 5 -1 87 411.518 4
Mid Mid (pH 6-8) 3.94 12.5 -49.84 0 5 -1 84 411.518 4

Activity (Go SEA)

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