UCSF

ZINC19313592

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2008 21 No

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) 1.04 6.04 -42.1 1 5 1 45 353.24 2
Ref Reference (pH 7) 1.04 6.3 -45.83 1 5 1 45 353.24 2
Mid Mid (pH 6-8) 1.04 3.66 -10.47 0 5 0 44 352.232 2
Mid Mid (pH 6-8) 1.04 3.94 -10.24 0 5 0 44 352.232 2

Activity (Go SEA)

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