UCSF

ZINC37080764

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 1.81 6.3 -122.49 4 4 2 51 343.265 4
Hi High (pH 8-9.5) 1.81 5.97 -38.17 3 4 1 49 342.257 4
Mid Mid (pH 6-8) 1.81 4.41 -47.39 3 4 1 49 342.257 4

Activity (Go SEA)

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