UCSF

ZINC37037974

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) -0.50 6.36 -115.45 4 5 2 65 278.4 4
Hi High (pH 8-9.5) -0.50 5.98 -40.37 3 5 1 64 277.392 4
Mid Mid (pH 6-8) -0.50 4.57 -50.45 3 5 1 64 277.392 4

Activity (Go SEA)

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