UCSF

ZINC19359960

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 27 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) 2.67 10.75 -42.88 1 5 1 43 367.448 4
Mid Mid (pH 6-8) 2.67 10.71 -42.77 1 5 1 43 367.448 4
Mid Mid (pH 6-8) 2.67 8.44 -8.81 0 5 0 41 366.44 4

Activity (Go SEA)

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