UCSF

ZINC14958330

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 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) 1.61 6.86 -39.21 4 6 1 85 360.441 5
Mid Mid (pH 6-8) 1.61 6.44 -13.86 3 6 0 84 359.433 5

Activity (Go SEA)

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