UCSF

ZINC48353489

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 24 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) 1.92 5.28 -9.57 1 6 0 56 327.384 4
Mid Mid (pH 6-8) 1.92 5.74 -34.96 2 6 1 57 328.392 4

Activity (Go SEA)

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