UCSF

ZINC16563722

Substance Information

In ZINC since Heavy atoms Benign functionality
August 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) 2.51 9.1 -57.06 2 7 1 86 388.469 7
Mid Mid (pH 6-8) 2.51 6.77 -13.62 1 7 0 85 387.461 7
Mid Mid (pH 6-8) 2.96 6.45 -42.34 1 7 0 89 387.461 7

Activity (Go SEA)

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