UCSF

ZINC37102916

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 3.48 7.44 -34.4 2 3 1 43 228.356 6
Mid Mid (pH 6-8) 3.48 6.64 -2.86 1 3 0 38 227.348 6

Activity (Go SEA)

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