UCSF

ZINC06744644

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 30 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) 3.02 8.17 -15.38 2 6 0 82 400.413 4
Hi High (pH 8-9.5) 3.02 8.56 -51.41 1 6 -1 85 399.405 4
Mid Mid (pH 6-8) 3.02 8.95 -55.25 1 6 -1 85 399.405 4

Activity (Go SEA)

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