UCSF

ZINC19933481

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 14 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) 0.74 2.43 -93.43 4 3 2 35 201.358 4
Mid Mid (pH 6-8) 0.74 0.55 -44.11 3 3 1 34 200.35 4

Activity (Go SEA)

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