UCSF

ZINC19361186

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 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) 3.34 7.5 -56.32 2 7 1 77 411.478 5
Mid Mid (pH 6-8) 3.13 4.64 -46.17 0 7 -1 78 409.462 5
Mid Mid (pH 6-8) 3.34 7.38 -58.67 2 7 1 77 411.478 5
Mid Mid (pH 6-8) 3.34 5.02 -15.14 1 7 0 75 410.47 5
Mid Mid (pH 6-8) 3.34 7.83 -38.18 1 7 0 79 410.47 5

Activity (Go SEA)

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