UCSF

ZINC19359434

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 29 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) 5.68 13.68 -39.96 1 3 1 17 387.547 7
Mid Mid (pH 6-8) 5.68 13.74 -40.45 1 3 1 17 387.547 7
Mid Mid (pH 6-8) 5.68 11.36 -5.54 0 3 0 16 386.539 7

Activity (Go SEA)

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