UCSF

ZINC14094498

Substance Information

In ZINC since Heavy atoms Benign functionality
July 2nd, 2008 35 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) 5.57 11.55 -13.37 1 6 0 61 497.546 6
Mid Mid (pH 6-8) 5.57 11.98 -25.97 2 6 1 63 498.554 6

Activity (Go SEA)

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