UCSF

ZINC54109992

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2010 19 No

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) 2.00 8.05 -41.91 2 5 1 62 266.365 8
Hi High (pH 8-9.5) 2.00 5.73 -5.79 1 5 0 61 265.357 8
Mid Mid (pH 6-8) 2.00 9.28 -129.02 3 5 2 67 267.373 8
Mid Mid (pH 6-8) 2.00 6.95 -50.75 2 5 1 66 266.365 8

Activity (Go SEA)

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